data_2mzc_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 2mzc _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 72.15 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.35 55.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.814 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.44 150.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.43 111.123 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.02 151.54 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 70.41 111.144 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tt -136.06 135.33 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.135 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.68 106.72 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 72.25 110.935 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.95 146.14 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.34 111.111 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.1 160.73 81.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 73.54 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 78.22 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 70.15 112.305 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.51 105.42 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 73.43 112.462 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.257 31.7 m 147.08 -28.51 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 131.147 3.779 . . . . 74.03 120.966 164.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.22 -10.88 27.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 113.555 -3.83 . . . . 74.43 112.329 162.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 69.81 64.06 0.24 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.333 1.453 . . . . 73.5 110.99 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.23 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.818 -0.551 . . . . 52.12 110.917 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.36 -22.25 60.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.41 111.108 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.72 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -76.57 -27.84 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 74.25 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.33 -45.65 65.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.122 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 tp -76.1 -52.24 10.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.893 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.64 -30.31 21.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 73.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -37.16 62.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.069 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.41 -24.07 63.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 72.2 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -111.74 4.66 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.828 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.93 30.95 31.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 65.43 112.441 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.25 167.89 20.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 74.22 111.061 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.11 146.57 26.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.907 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -150.87 146.54 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 75.04 110.891 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.42 122.61 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -77.16 157.68 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -135.61 117.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.43 111.127 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.87 106.6 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.86 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.3 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.064 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.18 25.77 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.928 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.57 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.3 111.099 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.17 147.92 66.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 74.24 111.172 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -15.2 37.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.739 2.293 . . . . 72.5 112.347 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.3 -40.98 57.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.883 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.11 -46.57 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 71.42 110.933 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -52.0 -46.37 64.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 72.23 110.833 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.8 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 73.41 111.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.72 -58.31 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 64.54 110.846 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.19 -25.17 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 73.11 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.61 67.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.07 -41.93 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.885 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -89.86 10.04 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.37 152.62 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 74.05 110.915 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.46 118.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 70.3 112.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . 2.6 mpp_? 58.32 23.93 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 74.13 110.854 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.1 45.04 1.61 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.536 1.772 . . . . 71.42 109.888 -175.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -53.96 175.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 112.243 -2.253 . . . . 72.33 111.17 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.39 157.05 1.8 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 75.3 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.69 2.01 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.74 2.294 . . . . 75.44 112.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -109.72 149.45 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.1 mm -112.35 147.22 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.45 111.116 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.912 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.54 108.02 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.178 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.1 -116.25 6.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 74.43 112.508 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 m -107.86 26.52 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 71.54 110.873 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.1 t -121.5 144.41 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 75.2 111.143 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -97.26 152.9 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.3 t -140.1 131.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 70.53 111.155 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.63 -30.78 28.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 62.24 112.52 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.21 -134.77 7.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.721 . . . . 74.2 112.477 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 63.32 110.866 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.75 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 73.34 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -43.5 35.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.33 -40.71 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.916 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.01 -40.74 30.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.903 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.51 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.11 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.23 -39.43 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.44 -29.92 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.87 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.09 -51.66 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.05 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.34 -29.97 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.86 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 46.14 1.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 65.03 112.484 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -129.81 26.52 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 73.42 110.924 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 pp -90.1 -36.63 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 73.43 110.873 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.84 -62.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.867 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -15.6 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.852 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.53 -49.04 14.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.42 110.94 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.55 -10.08 59.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 72.4 110.973 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -36.41 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.943 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -131.77 -46.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.218 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.62 65.87 1.39 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.699 -0.762 . . . . 72.33 112.454 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.5 164.62 11.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 74.43 110.86 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.95 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.864 0.364 . . . . 72.15 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.33 55.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 61.3 110.83 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.45 150.14 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.138 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.05 151.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 70.41 111.129 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tt -136.07 135.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 75.12 111.112 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.77 106.68 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.91 146.2 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 74.34 111.085 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.09 160.75 81.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 73.54 110.867 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 78.29 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.642 2.228 . . . . 70.15 112.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.5 104.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.455 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m 152.16 -29.99 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 N-CA-C 119.937 3.31 . . . . 74.03 119.937 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -72.67 -8.77 23.02 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 116.695 -1.736 . . . . 74.43 112.331 164.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 63.4 67.59 0.64 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.227 1.811 . . . . 73.5 111.8 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.089 0.956 . . . . 52.12 110.955 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -22.21 60.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 63.41 111.08 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.78 40.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.822 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.42 111.035 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -76.59 -27.84 55.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.402 . . . . 74.25 110.972 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.37 -45.66 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 65.23 111.086 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -76.1 -52.2 10.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.72 -30.27 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.15 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.08 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.45 -24.08 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 72.2 110.898 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -111.7 4.68 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.863 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.92 30.91 30.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 65.43 112.496 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.21 167.85 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 74.22 111.1 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.07 146.56 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.939 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -150.84 146.55 26.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.878 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.41 122.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.18 157.7 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.834 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -135.6 117.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.162 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.86 106.59 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.32 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 65.4 111.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.15 25.84 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.887 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.58 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 64.3 111.064 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.15 147.88 66.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 74.24 111.167 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -15.24 37.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 72.5 112.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.28 -40.9 58.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.17 -46.59 8.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 71.42 110.887 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -52.01 -46.41 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 72.23 110.804 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.72 92.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 73.41 111.125 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.76 -58.25 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 64.54 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.26 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.83 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.56 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.909 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.05 -41.99 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.853 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.91 10.12 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.43 152.65 21.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 74.05 110.879 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.41 118.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.41 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 54' ' ' ARG . 2.6 mpp_? 58.39 25.96 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 74.13 110.82 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 45.87 41.08 7.38 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.438 1.113 . . . . 71.42 108.352 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -57.63 175.41 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 72.33 111.188 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.36 157.05 1.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 75.3 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -177.67 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 75.44 112.359 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -109.69 149.44 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.03 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.33 147.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.122 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.935 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.56 108.01 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.182 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.08 -116.29 6.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 74.43 112.437 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 40.8 m -107.84 26.53 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 71.54 110.815 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -121.46 144.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 75.2 111.153 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -97.36 152.91 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 57.5 t -140.13 131.76 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.159 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -30.73 28.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.67 -0.776 . . . . 62.24 112.467 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.2 -134.76 7.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.816 -0.707 . . . . 74.2 112.483 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -65.83 -39.39 90.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 63.32 110.891 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.72 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 73.34 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.99 -43.44 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.822 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.38 -40.68 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.0 -40.7 30.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.925 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.58 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.147 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.18 -39.46 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.914 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.44 -29.93 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 71.24 110.848 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.07 -51.68 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.05 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.31 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 62.45 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 46.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 65.03 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -129.79 26.49 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 73.42 110.939 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 pp -90.04 -36.65 14.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.89 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.88 -62.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.849 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -15.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.836 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tt -78.57 -49.04 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.905 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.5 -10.12 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 72.4 110.967 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -36.43 10.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 21.1 p -131.76 -46.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 62.41 111.155 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.67 65.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.475 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.47 164.57 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 74.43 110.918 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.58 -20.52 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.958 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--O 1.243 0.734 0 O-C-N 120.082 -1.636 . . . . 71.15 110.465 178.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.796 0.332 . . . . 75.25 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.18 149.44 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.22 132.87 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 74.42 111.115 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.85 146.26 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 75.35 111.142 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.09 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 72.54 111.078 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.04 102.14 14.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.74 165.92 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 75.14 111.166 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -69.78 160.71 78.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.761 . . . . 75.13 110.816 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -15.9 37.11 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 73.03 112.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.68 100.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.659 -0.782 . . . . 32.34 112.455 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.601 ' HA ' ' NH2' ' B' ' 13' ' ' ARG . 4.7 m -177.37 -72.6 0.0 OUTLIER Pre-proline 0 C--N 1.295 -1.765 0 N-CA-C 108.92 -0.77 . . . . 73.41 108.92 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -62.5 -177.87 0.33 Allowed 'Trans proline' 0 C--N 1.326 -0.646 0 C-N-CA 124.484 3.456 . . . . 73.44 112.353 -176.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -97.18 59.61 1.62 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.186 0.993 . . . . 74.4 110.314 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.3 p -96.8 30.96 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.053 -1.029 . . . . 72.25 110.945 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.56 -25.78 33.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.11 111.145 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -66.44 -60.53 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.859 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -40.17 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.105 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.67 -25.61 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.73 -58.2 7.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 71.14 111.149 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.72 -42.77 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.886 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.11 -24.12 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.842 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 54.04 111.066 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.1 -26.9 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 70.01 110.791 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -119.2 15.7 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.909 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.49 28.28 20.6 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 33.53 112.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 160.75 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 65.3 111.081 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -96.89 147.11 24.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -155.84 153.57 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.909 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.33 128.41 48.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.912 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -83.79 159.4 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.901 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.0 mt -139.65 107.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 74.14 111.217 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.87 105.48 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 73.52 110.957 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.36 178.44 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.4 111.107 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.35 26.25 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.44 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.0 -35.99 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.13 147.59 66.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 72.41 111.064 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -16.84 37.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 74.55 112.344 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.75 -42.17 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 70.43 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.89 -57.81 5.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 74.54 110.95 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.54 45.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.929 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.75 27.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 70.52 111.074 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.41 -29.74 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.46 -26.22 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 72.04 110.871 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.28 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -74.39 -40.75 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.15 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -53.11 132.63 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.797 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.93 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.472 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.58 157.69 28.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 73.43 110.855 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.43 26.01 10.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.696 0.76 . . . . 72.32 109.604 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.1 -43.12 35.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.108 -0.951 . . . . 74.41 111.123 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -139.57 157.3 70.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 74.14 110.932 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 179.58 3.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.733 2.288 . . . . 72.5 112.294 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -100.87 140.2 35.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 mm -112.94 143.19 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.114 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -129.38 142.47 50.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.4 pt -140.56 101.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.2 111.104 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.75 -114.75 5.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 62.22 112.479 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -109.01 28.15 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 71.04 110.905 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -124.68 144.76 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 71.44 111.074 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.81 143.54 36.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.29 144.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 62.14 111.081 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.11 -72.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 71.44 112.5 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.9 -147.99 8.38 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.754 -0.736 . . . . 72.31 112.473 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.2 -32.31 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 70.23 110.908 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.81 -48.55 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 73.33 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.11 -43.36 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tt -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.45 -40.81 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.896 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.56 85.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 74.52 111.19 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.74 -41.25 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 71.53 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.4 -41.34 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.907 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.21 -52.88 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.45 -25.29 66.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.45 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.72 54.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.823 -0.703 . . . . 73.21 112.558 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -129.93 21.48 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 75.25 110.945 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 pp -90.08 -35.77 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.908 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -53.99 -48.11 70.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 63.11 110.868 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -25.92 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 74.33 110.849 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.4 tt -68.06 -35.54 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 73.01 110.822 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.38 -11.8 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.931 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -27.92 16.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.864 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -150.24 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 75.51 111.228 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.58 85.89 1.77 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.403 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.89 140.51 52.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 75.34 110.863 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.821 0.343 . . . . 75.25 111.105 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.23 149.44 7.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.831 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.27 132.91 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 74.42 111.146 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.9 146.27 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 75.35 111.036 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.12 135.74 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.54 111.147 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.89 102.05 14.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.71 165.94 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 75.14 111.204 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.601 ' NH2' ' HA ' ' A' ' 16' ' ' CYS . 22.7 mtt85 -69.88 160.79 78.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 75.13 110.883 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.94 37.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 73.03 112.322 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.7 107.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 32.34 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t 164.59 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 C-N-CA 126.253 1.821 . . . . 73.41 113.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.16 -174.98 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 CA-C-N 118.456 0.484 . . . . 73.44 112.325 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -104.09 56.6 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 119.711 -1.868 . . . . 74.4 109.366 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 p -90.83 30.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.062 -0.972 . . . . 72.25 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.51 -25.83 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 73.11 111.156 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -66.44 -60.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.54 110.89 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.21 60.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.145 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.49 -25.72 57.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.53 110.946 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.68 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.151 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.75 -42.83 99.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.834 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.96 -24.18 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.3 110.927 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 54.04 111.098 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.04 -26.89 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 70.01 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -119.29 15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.51 28.26 20.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 33.53 112.507 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.79 160.75 13.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 65.3 111.036 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -96.92 147.04 24.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.872 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -155.74 153.62 30.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.853 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.39 128.41 48.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 75.22 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -83.79 159.41 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.95 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.3 mt -139.63 108.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.188 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.84 105.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.929 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.43 178.4 6.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 62.4 111.139 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.31 26.34 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.82 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.03 -35.99 3.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.123 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.09 147.52 66.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.534 0.683 . . . . 72.41 111.151 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -16.78 37.85 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 74.55 112.374 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -75.8 -42.21 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.43 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.91 -57.75 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 74.54 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -26.57 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.936 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -50.67 28.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 70.52 111.121 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.47 -29.76 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.851 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.35 -26.2 21.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 72.04 110.903 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.3 69.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.54 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -74.45 -40.69 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 74.42 110.823 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.08 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.841 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -53.03 132.63 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.926 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.89 -75.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 63.14 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.55 154.61 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 73.43 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -112.83 27.3 9.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.932 0.396 . . . . 72.32 110.287 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -42.97 26.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.891 0.376 . . . . 74.41 111.118 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -139.64 157.3 70.36 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.617 0.722 . . . . 74.14 110.87 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 72.5 112.406 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -100.89 140.29 35.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 65.32 110.897 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mm -112.95 143.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.53 111.131 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.34 142.48 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 2.4 pt -140.58 101.47 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 74.2 111.055 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.65 -114.62 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 62.22 112.515 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.7 m -109.09 27.99 8.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.917 0.389 . . . . 71.04 110.816 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -124.56 144.84 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 71.44 111.122 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.77 143.5 36.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.23 110.896 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.37 144.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 62.14 111.113 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.17 -72.55 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 71.44 112.461 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.95 -147.95 8.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 72.31 112.422 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.28 -32.12 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 70.23 110.823 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -55.07 -48.47 73.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.09 -43.35 15.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.893 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.69 -35.85 44.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.919 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.44 -40.81 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.879 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.51 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.182 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.73 -41.2 73.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.53 110.961 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.38 -41.43 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 73.45 110.878 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.2 -52.83 62.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.843 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.52 -25.27 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 72.45 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.78 54.75 1.38 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.793 -0.717 . . . . 73.21 112.58 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -130.03 21.53 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.729 0.3 . . . . 75.25 110.867 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 pp -90.12 -35.77 15.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -53.9 -48.22 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 63.11 110.83 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -25.93 42.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.838 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.95 -35.48 78.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.99 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.55 -11.62 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.885 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 -27.99 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.893 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -150.27 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 75.51 111.199 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.52 85.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.33 112.471 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.85 140.42 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 75.34 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 107.041 -1.466 . . . . 70.11 107.041 -177.49 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 74.44 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.34 146.03 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.831 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -95.37 150.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.138 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.82 152.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.53 111.172 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 tt -132.49 136.33 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.141 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -98.89 99.59 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.95 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.01 175.86 1.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 72.02 111.184 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -61.79 160.82 25.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 74.12 110.842 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.64 -13.66 35.3 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 70.02 112.325 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.1 109.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.659 -0.781 . . . . 74.42 112.454 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.677 ' CA ' HH21 ' B' ' 13' ' ' ARG . 0.1 OUTLIER 174.0 -78.64 0.0 OUTLIER Pre-proline 0 N--CA 1.423 -1.785 0 N-CA-C 104.302 -2.481 . . . . 75.02 104.302 178.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -53.21 175.93 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.383 2.722 . . . . 73.22 112.35 -173.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -86.55 93.57 9.22 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.72 -1.863 . . . . 74.53 107.83 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -131.76 32.82 4.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.084 -1.871 . . . . 75.22 110.822 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -22.69 31.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.2 -49.69 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.81 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.1 111.133 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.04 -25.07 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 73.33 110.896 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.52 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 43.32 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.2 tp -53.08 -45.57 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.97 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.0 -23.09 52.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.33 110.898 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.9 -19.82 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 71.15 111.171 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.25 49.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.24 110.912 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -119.11 15.61 13.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.823 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.82 22.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 73.43 112.454 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.01 169.83 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 74.2 111.061 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 159.05 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.824 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.91 151.29 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -134.48 124.73 26.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 72.4 110.918 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.07 156.98 28.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.8 mt -137.23 109.98 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 70.52 111.082 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.17 113.79 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.819 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.57 -179.65 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 71.41 111.026 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.74 23.46 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.796 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.69 9.79 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 63.42 111.05 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.56 148.67 2.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 74.42 111.136 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -11.94 31.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 72.21 112.374 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.19 -55.31 29.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.913 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -51.63 -42.41 62.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.925 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.44 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.13 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.68 -60.35 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.903 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.8 -26.22 63.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.92 -26.1 66.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.931 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.05 -40.52 61.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.91 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.65 -50.2 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.85 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.47 48.57 14.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.876 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.09 174.67 39.05 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.731 -0.747 . . . . 72.1 112.434 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.52 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 72.52 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.44 44.83 0.62 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.971 0.909 . . . . 63.52 111.997 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p -80.3 -172.12 3.35 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 120.453 -1.405 . . . . 73.02 111.165 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.63 156.91 2.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.747 0.784 . . . . 74.43 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.02 19.9 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.634 2.222 . . . . 74.23 112.285 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.59 140.63 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.24 110.9 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mm -107.85 144.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.35 111.148 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.77 106.58 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.863 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.1 pt -116.92 125.82 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.24 111.061 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.89 39.61 62.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 74.31 112.463 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.33 21.78 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 62.32 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -102.54 146.28 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 74.53 111.234 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.92 129.47 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.894 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -130.82 131.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.103 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.2 36.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 74.23 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.67 -148.51 20.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 70.31 112.525 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -61.24 -37.4 82.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 73.45 110.862 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.83 -43.02 63.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.94 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.19 -45.2 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 74.05 110.964 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.82 -41.86 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.998 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.45 -42.86 70.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 75.23 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.13 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 71.12 111.062 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.7 -44.21 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 72.44 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.08 -39.64 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.834 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.93 -49.52 72.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 63.15 110.871 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -65.84 -26.82 67.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.888 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.42 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -127.8 23.99 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 73.02 110.75 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.02 -39.57 61.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.332 -0.394 . . . . 75.21 110.922 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.24 -51.11 63.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.3 110.952 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -27.83 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.819 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -41.33 86.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.23 110.952 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.65 -19.87 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.949 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.11 -24.26 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 70.35 110.852 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.5 p -147.94 -53.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.53 111.126 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.68 110.46 3.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 62.51 112.529 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -134.46 127.68 31.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 74.2 110.94 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.99 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 74.44 111.155 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.39 146.01 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 75.22 110.874 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.31 150.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 75.45 111.097 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.87 152.99 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.53 111.175 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 tt -132.45 136.28 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 72.21 111.197 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -98.9 99.63 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.936 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.0 175.84 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.677 HH21 ' CA ' ' A' ' 16' ' ' CYS . 34.0 mtt85 -61.8 160.83 25.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 74.12 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -13.67 35.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.285 . . . . 70.02 112.4 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.14 108.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.652 -0.785 . . . . 74.42 112.431 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.538 ' HB2' ' HD3' ' B' ' 17' ' ' PRO . 93.5 m 172.72 -58.19 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 O-C-N 119.536 -2.155 . . . . 75.02 109.081 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.79 176.16 7.94 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.676 1.584 . . . . 73.22 112.39 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -78.34 88.23 4.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.147 0.498 . . . . 74.53 111.214 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.92 32.91 3.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.828 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -22.6 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.113 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -63.23 -49.71 73.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.821 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.85 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.1 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.06 -24.98 66.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 73.33 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.55 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 43.32 111.135 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -53.04 -45.67 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.877 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.0 -23.04 52.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.94 -19.85 24.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 71.15 111.152 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -27.2 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.912 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -119.12 15.58 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.92 22.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 73.43 112.439 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 169.85 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 74.2 111.104 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.33 159.02 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -169.9 151.3 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -134.5 124.69 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 72.4 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.02 156.93 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -137.15 110.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 70.52 111.133 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.15 113.82 6.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.807 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.61 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.153 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.63 23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.836 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.66 9.8 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 63.42 111.077 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.57 148.67 2.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 74.42 111.152 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.95 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.289 . . . . 72.21 112.319 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.92 -55.82 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.17 -55.24 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 71.21 110.892 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -51.7 -42.43 62.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.904 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.4 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.117 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.72 -60.36 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.76 -26.3 63.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 74.23 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.85 -26.11 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.3 110.889 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.56 -50.33 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.846 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.54 48.55 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.54 39.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 72.1 112.462 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.39 -172.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 72.52 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -85.1 54.8 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.262 -1.524 . . . . 63.52 111.592 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -80.73 -172.05 3.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.653 -1.158 . . . . 73.02 111.184 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.7 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.732 0.777 . . . . 74.43 110.811 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 168.97 19.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 74.23 112.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.57 140.61 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.82 144.23 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 75.35 111.23 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.69 106.53 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 74.3 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 11.2 pt -116.88 125.85 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.086 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.85 39.67 62.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.31 112.442 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.34 21.72 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 62.32 110.832 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.7 t -102.5 146.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 74.53 111.137 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.97 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 59.0 t -130.77 131.42 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.175 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.09 36.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 74.23 112.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.63 -148.48 20.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.573 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 96.7 p -61.23 -37.46 83.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.367 . . . . 73.45 110.857 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.76 -43.09 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.874 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.25 -45.22 11.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.877 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.73 -41.9 61.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.931 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.48 -42.86 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.11 69.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 71.12 111.082 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.63 -44.28 94.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.04 -39.63 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.86 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.06 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 63.15 110.765 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -65.78 -26.83 67.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.956 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.48 2.01 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.83 -0.7 . . . . 64.11 112.503 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -127.78 23.87 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 73.02 110.798 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.06 -39.42 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.21 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.31 -51.22 63.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 73.3 110.897 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -27.84 65.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -41.39 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 72.23 110.972 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.63 -19.88 25.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.01 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.16 -24.13 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.874 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 68.6 p -148.0 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 75.53 111.168 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.71 110.48 3.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 62.51 112.535 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -134.47 127.57 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 74.2 110.933 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.36 -30.19 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 75.32 110.894 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 N--CA 1.489 1.486 0 O-C-N 116.82 -3.675 . . . . 75.22 117.111 179.304 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 71.11 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -153.69 136.72 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.828 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.52 138.74 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.119 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.44 150.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 63.3 111.143 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 tt -137.63 136.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.105 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -90.86 116.03 28.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t 179.75 158.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 71.15 111.128 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.538 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.47 160.64 81.91 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 72.43 110.884 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 78.47 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.576 2.184 . . . . 74.34 112.422 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 101.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 52.42 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER 167.58 -48.98 0.0 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 118.319 2.711 . . . . 74.44 118.319 178.315 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD3' ' SG ' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -72.77 -168.81 0.43 Allowed 'Trans proline' 0 C--N 1.332 -0.313 0 C-N-CA 120.56 0.84 . . . . 73.22 112.35 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -90.57 63.42 5.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.39 1.091 . . . . 75.3 109.812 -174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -109.22 32.99 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.137 -0.938 . . . . 74.12 110.857 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.21 -23.04 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.22 111.061 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -77.81 -57.13 3.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.42 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 70.01 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -66.46 -36.64 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.839 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.66 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.21 111.123 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 tp -56.74 -48.04 78.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 72.43 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -55.94 -25.52 43.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -22.76 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.159 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.9 -28.04 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 70.44 110.946 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -111.93 14.25 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.97 28.01 23.49 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.62 -0.8 . . . . 73.34 112.512 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.13 156.27 39.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 60.42 111.137 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.93 146.63 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 73.34 110.865 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.04 152.94 30.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -128.16 128.82 45.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 71.52 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.76 160.09 24.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -136.89 123.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 74.11 111.094 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.01 105.13 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 65.32 110.803 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.24 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.37 23.54 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.86 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.56 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 73.43 111.054 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.13 154.6 68.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 74.43 111.131 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.651 2.234 . . . . 64.31 112.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.26 -44.56 83.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.876 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.06 -47.93 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.931 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.95 -30.22 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.796 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.2 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 75.42 111.064 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -64.75 -44.15 91.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 53.2 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.07 -26.1 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.3 110.854 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -63.24 -26.07 68.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 74.1 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.17 -40.94 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.55 10.16 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.962 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 t -52.96 112.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.32 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.99 -56.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 65.15 112.529 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -133.34 139.44 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 75.35 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' N ' ' HH ' ' B' ' 18' ' ' TYR . 39.5 m-20 -125.02 36.47 4.59 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 117.218 -3.427 . . . . 75.24 107.711 176.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -71.49 -51.06 25.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.24 -1.345 . . . . 74.13 111.133 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.21 157.62 55.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 62.53 110.923 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 175.82 7.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 75.32 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.32 124.49 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 64.41 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.1 mm -89.94 150.17 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.22 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -139.48 140.89 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.935 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 pt -147.06 115.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.089 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.43 -116.89 6.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 73.02 112.529 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.32 25.84 11.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 75.22 110.815 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.0 t -113.03 143.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 74.55 111.142 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -109.97 116.67 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.891 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.77 89.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.083 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.04 112.447 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.67 111.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 71.35 112.513 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -53.4 -30.57 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 71.22 110.818 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -74.39 -32.18 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.916 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -67.96 -36.81 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.807 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.95 -38.32 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.56 -34.77 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.3 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 62.04 111.057 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.3 -41.33 84.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.03 -40.01 94.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.893 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.39 -54.86 26.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.777 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.08 -26.26 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.848 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.01 48.35 2.09 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.819 -0.705 . . . . 72.1 112.466 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.45 25.81 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 73.41 110.982 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.09 -35.75 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.8 -49.67 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 72.42 110.894 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.88 -26.22 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.815 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.78 -47.56 74.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.972 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.83 60.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.822 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.12 -37.22 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.936 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.71 -41.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 75.34 111.168 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.45 111.27 3.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 71.24 112.521 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.73 147.01 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 75.34 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 75.52 110.923 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.826 0.346 . . . . 71.11 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.65 136.69 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 70.21 110.878 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -87.37 138.76 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.51 111.16 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.46 150.77 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 63.3 111.131 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 tt -137.67 136.76 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.145 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -90.9 116.1 28.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t 179.65 158.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 71.15 111.194 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.451 ' CZ ' ' CB ' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.28 160.63 82.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 72.43 110.807 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.47 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.581 2.188 . . . . 74.34 112.434 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.4 105.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.728 -0.749 . . . . 52.42 112.515 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.323 7.7 p 156.37 -37.59 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 C-N-CA 129.367 3.067 . . . . 74.44 117.133 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.87 -174.11 0.87 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 116.69 -1.74 . . . . 73.22 112.353 168.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.431 ' HH ' ' N ' ' A' ' 55' ' ' ASN . 53.9 m-85 -79.01 66.84 4.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.234 1.016 . . . . 75.3 111.705 177.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -114.57 32.95 5.62 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.484 -0.76 . . . . 74.12 110.856 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.08 -23.06 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.22 111.107 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -77.88 -56.99 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.943 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -46.39 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 70.01 111.103 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -66.41 -36.61 83.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 72.45 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.71 -59.79 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.067 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 tp -56.81 -47.89 79.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.918 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -55.96 -25.54 44.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.928 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.77 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.2 111.157 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.86 -28.1 58.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.91 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -111.88 14.2 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.04 110.828 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 28.13 23.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 73.34 112.527 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.15 156.26 39.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 60.42 111.168 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -93.93 146.58 23.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.814 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.05 153.02 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.857 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -128.1 128.88 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 71.52 110.92 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.83 160.07 24.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 75.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -136.93 123.96 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 74.11 111.117 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.96 105.09 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 65.32 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.26 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.067 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.39 23.46 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.9 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.05 -35.48 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.071 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.09 154.6 68.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 74.43 111.144 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -8.14 22.85 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.772 2.314 . . . . 64.31 112.355 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.3 -44.48 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.17 -47.85 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.937 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -52.07 -30.18 24.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.776 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 75.42 111.17 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.78 -44.26 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.2 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.01 -26.06 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 73.3 110.938 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -63.26 -26.09 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 74.1 110.982 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.11 -40.92 19.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 63.32 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.56 10.18 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -52.96 112.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.834 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.02 -56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 65.15 112.463 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -133.27 141.01 47.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.367 . . . . 75.35 110.864 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -113.21 16.1 19.22 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 125.135 1.522 . . . . 75.24 111.468 -174.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -77.22 -51.0 11.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.168 -172.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.22 157.7 55.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 62.53 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.88 175.79 7.73 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.716 2.277 . . . . 75.32 112.272 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.25 124.48 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.95 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.9 150.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 74.34 111.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -139.5 140.91 37.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 73.52 110.999 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 pt -147.14 115.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 74.14 111.114 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.35 -116.85 6.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 73.02 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.28 25.87 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 75.22 110.8 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.94 143.54 22.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.55 111.166 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -110.12 116.64 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.72 89.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.492 . . . . 74.44 111.093 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.71 81.63 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 73.04 112.448 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.68 111.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.85 -0.69 . . . . 71.35 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 62.0 p -53.35 -30.56 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 71.22 110.825 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.42 -32.14 62.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.96 -36.87 80.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 74.11 110.751 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.99 -38.31 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 75.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.54 -34.75 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.25 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 62.04 111.111 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.38 -41.29 84.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.892 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.01 -40.07 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.924 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.31 -54.88 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.843 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.13 -26.12 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.854 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.91 48.37 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.802 -0.713 . . . . 72.1 112.534 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.52 25.86 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 73.41 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.12 -35.79 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.73 -49.74 61.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.86 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.82 -26.28 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.815 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.68 -47.68 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.7 60.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.906 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -37.26 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.864 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.69 -41.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 111.12 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.44 111.18 3.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 71.24 112.497 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 75.34 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.98 -31.76 19.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 75.52 110.948 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.255 1.372 0 N-CA-C 105.189 -2.152 . . . . 75.3 105.189 -171.527 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 73.24 111.135 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -128.77 147.56 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.825 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.75 130.99 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.123 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.62 151.03 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 70.41 111.121 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.66 137.44 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 75.34 111.141 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.72 107.58 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.935 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.68 160.57 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.14 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -78.92 161.94 66.75 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 107.53 -1.285 . . . . 74.1 107.53 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.01 -8.96 25.03 Favored 'Trans proline' 0 C--N 1.355 0.899 1 C-N-CA 128.481 6.121 . . . . 61.14 112.412 -176.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.58 105.63 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.656 -0.783 . . . . 73.54 112.528 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 159.49 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.77 0 C-N-CA 129.087 2.955 . . . . 63.02 115.946 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.3 178.26 4.46 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 116.785 -1.677 . . . . 75.42 112.383 172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -89.73 63.19 6.06 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.947 -1.096 . . . . 64.33 112.159 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -91.63 36.65 0.95 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.055 -1.028 . . . . 64.24 110.975 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.0 -24.63 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 72.04 111.067 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.52 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.45 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.59 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 72.45 111.071 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.76 -24.68 41.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 75.54 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.68 -53.82 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 60.13 111.185 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -70.37 -48.18 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.923 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.79 -42.18 62.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 52.55 110.923 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.09 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.15 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.42 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.923 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -107.01 -16.01 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 74.51 110.843 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.06 79.04 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.748 -0.739 . . . . 72.13 112.467 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.25 156.69 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 70.2 111.132 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -93.94 125.22 38.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.913 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.33 152.6 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 65.43 110.959 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -127.58 128.43 45.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.94 156.83 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.1 mt -139.04 139.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 74.12 111.203 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.96 95.27 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.8 180.0 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.986 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.3 21.24 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.854 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.39 -4.6 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.122 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.03 152.14 1.85 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 72.54 111.209 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -8.12 22.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 74.42 112.38 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -47.35 76.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.82 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.17 -47.03 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 75.5 110.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.45 -30.07 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 73.15 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.17 -56.08 26.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.043 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.75 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.904 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.1 ttm -63.25 -25.43 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 75.52 110.858 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.59 -25.7 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 71.35 110.903 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.61 -54.06 46.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.892 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.46 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 p 58.73 26.35 14.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.87 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.33 -142.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 74.34 112.441 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.25 158.09 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 72.13 110.818 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.39 20.97 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.539 0.685 . . . . 71.21 110.521 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 p -69.33 -34.83 75.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.433 -0.792 . . . . 73.12 111.159 -177.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -128.86 157.38 75.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 74.14 110.983 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.0 29.0 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 72.14 112.296 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -90.2 123.87 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.63 144.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.31 111.076 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 147.01 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 mt -145.39 118.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.122 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.38 -99.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 70.33 112.487 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.89 32.26 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 71.01 110.761 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.45 150.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.15 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.7 128.47 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -131.53 124.32 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 63.21 111.129 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.6 -83.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 55.43 112.487 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.58 12.41 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.725 -0.75 . . . . 70.34 112.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -52.36 -30.17 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 43.23 110.932 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.02 -41.47 62.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.32 110.801 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.34 -46.41 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.07 -40.43 61.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.942 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -70.92 -40.9 71.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.77 69.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.54 111.034 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.07 -41.8 88.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.952 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -57.53 -30.2 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.844 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -50.01 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 62.34 110.919 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.24 -26.76 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.895 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.07 46.17 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.738 . . . . 74.43 112.527 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.88 28.85 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 75.53 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.85 -37.95 16.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.925 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -54.74 -57.24 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -68.54 -20.43 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.03 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tt -73.72 -49.09 27.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 72.52 110.911 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.93 -16.33 60.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.871 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -40.22 11.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.986 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.63 -46.86 1.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.098 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.01 108.89 2.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 75.34 112.434 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -142.42 149.47 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 73.44 110.905 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.954 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.773 0.32 . . . . 73.24 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -128.76 147.55 50.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.84 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.6 t -87.77 131.0 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.132 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.56 150.99 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 70.41 111.19 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.61 137.4 35.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 75.34 111.166 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.81 107.61 19.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.892 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.67 164.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.135 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.55 159.7 60.68 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 106.791 -1.559 . . . . 74.1 106.791 -175.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.4 -8.73 22.99 Favored 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 127.634 5.556 . . . . 61.14 112.369 -175.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.54 106.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 73.54 112.475 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 t 159.67 -49.58 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 C-N-CA 127.616 2.366 . . . . 63.02 116.008 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.13 179.07 2.08 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 116.54 -1.84 . . . . 75.42 112.371 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.39 76.75 5.16 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.186 -1.413 . . . . 64.33 107.186 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.06 36.7 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.601 . . . . 64.24 110.934 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.96 -24.6 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.04 111.146 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.54 -53.23 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.861 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.64 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 72.45 111.15 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.75 -24.73 41.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.64 -53.77 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 60.13 111.153 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -70.44 -48.23 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 mt -51.83 -42.2 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 52.55 110.844 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.64 -33.94 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 74.11 111.179 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -25.48 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -106.95 -16.09 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.836 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.32 11.02 79.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 72.13 112.486 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.21 156.72 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 70.2 111.069 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -94.01 125.23 38.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.868 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.32 152.65 48.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 65.43 110.892 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.6 128.47 45.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.93 156.78 19.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.2 mt -139.02 139.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.166 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.98 95.24 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.858 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.73 179.97 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.54 111.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.28 21.35 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.848 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.44 -4.58 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.22 111.094 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.0 152.18 1.87 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 72.54 111.175 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -8.26 23.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 74.42 112.389 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -47.53 76.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.804 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.13 -47.09 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.5 110.906 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.43 -30.01 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 -56.02 27.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 73.43 111.057 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.81 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.19 -25.45 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 75.52 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.57 -25.7 67.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.949 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.56 -54.2 44.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.867 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.43 -59.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.14 110.89 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.2 p 58.62 26.48 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.835 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.4 -142.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.663 -0.779 . . . . 74.34 112.384 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -56.15 158.75 3.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 72.13 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -125.17 19.26 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.321 -0.854 . . . . 71.21 111.5 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 4.5 p -68.91 -34.71 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.953 -0.467 . . . . 73.12 111.155 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -129.0 157.39 75.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 74.14 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 166.08 28.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.273 . . . . 72.14 112.33 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -90.29 123.83 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 65.42 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.9 mm -95.63 144.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.088 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 146.94 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 9.1 mt -145.26 118.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.242 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.29 -99.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 70.33 112.543 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.83 32.2 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 71.01 110.759 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.0 p -116.5 150.02 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 75.42 111.083 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.8 128.41 45.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.768 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -131.44 124.34 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.58 -83.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 55.43 112.533 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.57 12.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.442 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -52.37 -30.27 28.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 43.23 110.891 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.96 -41.42 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 72.32 110.801 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.43 -46.41 10.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 65.25 110.835 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.11 -40.44 61.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.927 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -70.85 -40.96 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.912 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.66 69.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 75.54 111.09 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.11 -41.83 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.937 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.54 -30.12 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.864 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.49 -50.16 13.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 62.34 110.821 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -62.15 -26.8 68.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.54 110.891 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.01 46.25 2.9 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.7 -0.762 . . . . 74.43 112.512 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.92 28.85 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 75.53 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.8 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 75.12 110.959 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.77 -57.27 12.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.91 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -68.52 -20.45 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 63.03 110.803 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tt -73.71 -49.05 27.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.871 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.01 -16.24 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.871 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.2 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.912 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -128.56 -46.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.423 . . . . 71.23 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.94 108.93 2.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.481 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -142.47 149.53 39.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 73.44 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -23.61 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.983 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--O 1.248 0.977 0 N-CA-C 106.015 -1.846 . . . . 74.22 106.015 -172.714 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.869 0.366 . . . . 74.33 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.09 152.09 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 t -90.2 136.17 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.089 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.44 136.73 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 74.51 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 tt -124.24 135.71 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 75.44 111.15 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.83 101.07 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.59 148.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 73.11 111.122 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.6 159.95 1.53 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 74.44 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 79.93 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.701 2.268 . . . . 65.33 112.37 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.83 100.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 53.21 112.505 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.518 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 m 179.94 -55.96 0.0 OUTLIER Pre-proline 0 CA--C 1.586 2.358 0 O-C-N 116.961 -3.67 . . . . 73.0 105.823 -159.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 16' ' ' CYS . 53.1 Cg_endo -95.63 -172.66 0.24 Allowed 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 132.933 9.089 . . . . 62.13 112.393 -177.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -79.82 54.07 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.553 0.692 . . . . 75.54 111.959 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.99 29.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.06 -1.025 . . . . 75.03 110.881 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.59 -26.09 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.09 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -62.43 -58.74 6.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.56 73.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 54.42 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -60.56 -44.71 95.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.27 9.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.13 -44.8 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.959 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.71 -28.47 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.25 110.928 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.78 -23.36 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 74.35 111.17 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.41 -25.08 59.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -112.86 11.3 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.819 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.02 50.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 75.12 112.45 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.43 155.23 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 73.11 111.066 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.78 122.11 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.889 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -125.26 153.81 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.893 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.72 119.04 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.3 154.95 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 64.3 110.79 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.9 143.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.096 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.29 89.96 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 64.42 110.804 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.86 178.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.53 111.111 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 t 63.09 17.02 9.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.865 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.54 -10.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.7 154.4 11.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 72.02 111.172 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.654 2.236 . . . . 74.41 112.285 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.1 -49.18 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 71.41 110.967 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -57.26 13.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -25.71 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.55 110.889 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.6 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.41 111.06 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.42 -36.0 71.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 74.02 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.8 mtm -78.94 -27.57 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.15 110.905 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.51 -26.85 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.911 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.11 -43.2 63.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -107.02 -59.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.5 110.926 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.63 50.99 10.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.945 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -153.74 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.518 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -57.72 176.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 72.24 110.791 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -129.17 27.74 5.34 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.222 -1.549 . . . . 75.22 110.372 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.71 -45.62 35.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 61.1 111.148 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.86 157.39 71.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.658 0.742 . . . . 72.04 110.905 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 174.66 9.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 61.2 112.35 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.98 128.16 45.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mm -101.57 144.9 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.146 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.06 124.31 21.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.04 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.65 99.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 64.31 111.116 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.97 52.44 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.5 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.3 m 59.33 21.27 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 74.2 110.789 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.71 143.56 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.064 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.56 120.43 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 72.51 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.8 128.7 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.14 111.232 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.54 -43.82 36.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.719 . . . . 44.34 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.01 -158.23 27.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.21 112.503 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.86 -34.54 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 65.15 110.889 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.91 -46.97 64.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.4 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.7 -45.18 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 70.54 110.81 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.51 -42.19 61.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.92 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -67.08 -42.28 84.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.42 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 71.24 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -56.11 -46.07 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.902 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.42 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 64.15 110.876 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.87 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 74.15 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.97 -30.1 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.29 51.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 72.2 112.515 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -129.96 23.93 5.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.849 0.357 . . . . 74.15 110.965 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.4 -32.46 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.959 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.09 -49.72 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.786 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.95 -25.97 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.825 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -45.23 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.982 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 -9.96 59.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 70.33 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -33.74 14.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 75.45 110.889 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.09 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 65.11 111.162 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.7 106.85 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 75.44 112.449 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.28 131.91 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 61.34 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 74.35 110.886 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.861 0.362 . . . . 74.33 111.123 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.06 152.07 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.14 110.862 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.26 136.2 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.3 111.097 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.42 136.74 54.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.51 111.079 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 tt -124.27 135.67 62.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 75.44 111.157 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -92.84 101.16 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.62 148.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -52.66 159.91 1.57 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 74.44 110.858 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 79.81 0.91 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.748 2.299 . . . . 65.33 112.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 53.21 112.506 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m 158.23 -46.11 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 129.081 2.952 . . . . 73.0 115.515 172.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.21 -169.03 0.18 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 116.142 -2.105 . . . . 62.13 112.34 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -91.06 59.96 4.18 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 120.687 -1.258 . . . . 75.54 108.269 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.87 29.82 7.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.834 -1.075 . . . . 75.03 110.9 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.53 -26.12 28.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 73.21 111.187 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 65.2 mmt-85 -62.37 -58.84 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.847 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -47.57 73.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.037 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -60.62 -44.75 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 -57.19 10.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 70.43 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.24 -44.72 84.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 74.42 110.96 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.74 -28.44 55.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.917 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 -23.36 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.11 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.43 -25.12 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 73.53 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -112.83 11.24 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.863 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.05 50.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 75.12 112.494 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.49 155.29 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.676 0.274 . . . . 73.11 111.124 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.87 122.11 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -125.26 153.72 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.897 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.66 119.04 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.877 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -83.3 154.97 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 64.3 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.9 143.53 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 74.42 111.149 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.36 90.03 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 178.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 72.53 111.072 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t 63.16 16.99 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.868 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.56 -10.17 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.42 111.173 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.71 154.34 11.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 72.02 111.111 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.95 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 74.41 112.368 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.24 -49.13 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.895 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -57.32 13.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -25.81 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.854 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.59 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 71.41 111.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.43 -35.92 71.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -79.0 -27.6 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 65.15 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.43 -26.92 68.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.99 -43.25 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.955 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -107.0 -60.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 75.5 110.896 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.68 51.07 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.39 -153.79 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 72.11 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -57.65 174.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.802 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -126.22 26.0 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.633 -1.292 . . . . 75.22 110.49 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.77 -45.62 35.28 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.047 -0.408 . . . . 61.1 111.164 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.8 157.44 71.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.71 0.767 . . . . 72.04 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.84 174.64 9.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.709 2.273 . . . . 61.2 112.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.9 128.16 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.7 mm -101.55 144.96 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 72.41 111.12 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.17 124.33 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.62 99.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 64.31 111.125 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.99 52.47 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 71.45 112.454 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m 59.27 21.29 9.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.953 0.406 . . . . 74.2 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.71 143.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 72.44 111.068 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.57 120.48 29.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.833 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.91 128.74 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.119 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.53 -43.8 36.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 44.34 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.02 -158.23 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 73.21 112.487 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.95 -34.47 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.15 110.891 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.92 -47.03 64.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 74.4 110.813 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -83.73 -45.06 13.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 70.54 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.66 -42.02 61.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.24 -42.17 84.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.932 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.43 74.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 71.24 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.951 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.39 -36.75 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 64.15 110.865 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.82 -53.5 56.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 74.15 110.847 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.0 -30.01 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.912 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.24 51.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 72.2 112.462 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -130.02 23.95 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 74.15 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -83.33 -32.41 26.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.969 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.11 -49.7 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.767 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.87 -26.0 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.45 -45.35 84.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.963 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.86 -10.01 59.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 70.33 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -33.75 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.876 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.08 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.65 106.9 2.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.827 -0.701 . . . . 75.44 112.43 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.2 131.93 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 61.34 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.85 -27.39 40.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 74.35 110.865 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.48 1.064 0 O-C-N 118.471 -2.643 . . . . 74.35 112.188 166.126 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 71.54 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.97 137.49 51.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.854 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.53 147.62 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.43 111.127 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.95 150.12 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.05 111.098 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.01 135.84 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 72.12 111.224 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -93.27 108.2 19.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.901 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.78 166.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 74.11 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.21 159.51 84.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 74.32 110.91 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 79.1 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 75.01 112.385 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.52 109.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 63.45 112.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 156.01 -42.27 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.945 0 C-N-CA 128.878 2.871 . . . . 71.33 116.986 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.95 -175.23 0.74 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 115.872 -2.285 . . . . 74.44 112.309 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.15 56.67 3.84 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.848 -1.158 . . . . 72.31 110.874 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.86 -7.33 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.146 -0.971 . . . . 72.03 110.856 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.46 -30.05 18.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.54 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -61.25 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 75.54 110.947 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.23 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.157 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.52 -46.44 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.79 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.126 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -51.99 -54.05 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.03 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 mt -55.23 -38.0 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.869 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.85 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 45.31 111.136 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -46.4 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.895 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -81.96 0.28 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.74 15.95 49.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.1 112.475 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.84 168.9 7.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.77 0.319 . . . . 63.31 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.08 140.53 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.918 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -143.87 157.69 44.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.871 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.68 129.37 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 74.35 110.908 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.7 153.38 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.9 mt -129.45 113.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 75.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.18 105.82 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.858 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.31 178.04 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.69 28.93 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.899 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.54 -39.33 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 71.22 111.013 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.76 147.45 62.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 75.53 111.131 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.98 37.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 72.25 112.374 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.08 -27.37 42.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 mt -82.06 -59.55 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.921 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.65 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 74.35 110.81 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.29 95.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.21 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.74 -50.99 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.869 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -68.98 -25.97 64.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.022 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.93 -26.0 64.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.966 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.07 -57.99 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.825 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -28.41 17.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.795 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p 51.94 37.91 22.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.61 174.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 73.23 112.417 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -53.68 174.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 74.43 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -113.47 17.19 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.572 -1.194 . . . . 73.44 111.273 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -84.91 -38.85 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.93 -0.481 . . . . 72.34 111.257 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.15 157.3 77.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.667 0.746 . . . . 75.5 110.799 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.25 4.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 72.2 112.381 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.79 132.68 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 65.42 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -102.93 144.24 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.63 127.88 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.841 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.3 pt -130.66 108.25 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.142 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.31 -118.58 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 63.34 112.511 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.09 31.55 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 72.32 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.7 t -127.8 131.61 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.142 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -85.75 151.34 23.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.1 t -141.36 131.71 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.17 -56.29 15.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 64.23 112.495 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.68 -138.45 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 73.01 112.494 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 p -71.03 -40.29 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 51.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.88 -41.08 61.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 73.55 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.61 -44.19 10.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.833 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.73 -42.42 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.45 -34.34 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.972 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.3 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 70.43 111.129 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.91 92.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.907 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.38 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.874 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.14 -40.8 26.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.13 -30.11 70.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 74.02 110.903 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.29 41.53 1.9 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 74.24 112.51 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -129.98 30.2 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 75.22 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.53 -40.42 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.36 -35.35 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.9 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.87 -21.24 23.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.861 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.56 -44.17 35.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.903 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.77 -18.52 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 72.02 110.92 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.92 -27.22 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 74.04 110.877 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.3 p -146.11 -49.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.54 111.121 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.8 110.18 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 72.54 112.514 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -142.65 160.49 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 74.14 110.944 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.899 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.818 0.342 . . . . 71.54 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.96 137.35 51.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.48 147.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.98 150.21 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 74.05 111.073 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.09 135.74 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 72.12 111.182 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -93.2 108.08 19.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.67 166.57 3.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 74.11 111.112 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.2 159.61 83.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 74.32 110.852 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 79.1 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 75.01 112.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.61 108.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 63.45 112.441 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m 160.19 -49.49 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 C-N-CA 128.744 2.818 . . . . 71.33 114.458 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.49 -173.59 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 116.772 -1.685 . . . . 74.44 112.319 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.39 56.77 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.674 0.75 . . . . 72.31 111.52 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.5 p -107.36 -7.26 16.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 72.03 110.855 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.12 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.142 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -61.37 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -33.11 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.42 111.147 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.6 -46.41 82.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.891 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.48 -58.81 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.03 -53.93 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 74.03 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.2 mt -55.27 -38.06 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.903 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.96 82.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 45.31 111.069 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -46.4 88.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.942 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -81.96 0.37 40.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.861 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.67 16.01 49.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 72.1 112.494 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 168.87 7.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.719 0.295 . . . . 63.31 111.06 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.14 140.68 40.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.846 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -143.9 157.77 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.858 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.74 129.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 74.35 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.79 153.37 21.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.786 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -129.39 113.72 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 75.0 111.177 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.1 105.83 1.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.44 178.01 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 71.11 111.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.77 28.84 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.853 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 -39.24 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 71.22 111.088 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.78 147.42 62.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 75.53 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.89 36.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 72.25 112.377 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.18 -27.34 42.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -82.11 -59.56 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -30.63 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 74.35 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.24 95.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.507 . . . . 73.21 111.126 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -61.9 -50.86 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 72.21 110.875 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -69.05 -25.93 64.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.961 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -68.95 -25.98 64.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.933 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.16 -57.95 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.1 110.781 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -28.44 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p 51.98 37.76 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.838 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.53 174.53 0.38 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 73.23 112.46 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -53.6 171.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 74.43 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -109.97 16.43 21.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.37 0.605 . . . . 73.44 112.164 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.8 p -78.56 -38.92 39.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.721 -0.612 . . . . 72.34 111.163 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.09 157.25 77.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.601 0.715 . . . . 75.5 110.84 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.2 4.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.626 2.217 . . . . 72.2 112.343 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.77 132.7 48.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 65.42 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mm -102.98 144.35 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.34 111.147 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.62 127.9 33.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.853 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.3 pt -130.7 108.2 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.118 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 -118.48 8.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 63.34 112.553 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.15 31.53 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.32 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.82 131.68 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.131 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -85.71 151.25 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 74.14 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 t -141.32 131.82 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.15 -56.27 15.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.23 112.611 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.67 -138.44 4.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 73.01 112.533 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.7 p -71.19 -40.19 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 51.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.9 -41.09 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.55 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -44.3 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.821 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.858 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.5 -34.32 60.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 73.42 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 70.43 111.029 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.77 93.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 73.41 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.43 -31.14 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.85 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.11 -40.77 26.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.24 -30.02 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.85 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.51 1.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 74.24 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -130.05 30.24 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 75.22 110.939 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.5 -40.41 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.974 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.34 -35.43 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.904 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.73 -21.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.2 110.848 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.65 -44.07 35.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.79 -18.52 47.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.917 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.87 -27.38 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.04 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 39.0 p -146.04 -49.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.54 111.118 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.82 110.27 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.827 -0.701 . . . . 72.54 112.483 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -142.71 160.47 40.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.761 0.315 . . . . 74.14 110.954 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 pp -100.73 -19.28 16.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 75.21 110.875 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.244 0.776 0 CA-C-O 117.126 -1.416 . . . . 72.35 110.368 -172.618 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.859 0.361 . . . . 73.54 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -147.93 147.89 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.21 110.868 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.5 t -99.01 147.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.5 111.13 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.33 152.22 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.128 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 tt -132.92 135.97 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.35 111.108 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.36 104.86 16.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.898 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.71 154.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 62.4 111.122 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 160.43 16.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 75.43 110.842 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.93 -12.6 32.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 74.42 112.268 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 171.8 106.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 72.2 112.499 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.86 ' HA ' HH21 ' B' ' 13' ' ' ARG . 1.5 m 168.26 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.314 -0.975 0 N-CA-C 117.873 2.546 . . . . 74.1 117.873 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.5 -173.39 0.97 Allowed 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 121.172 1.248 . . . . 74.1 112.315 173.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.94 61.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 120.706 -1.246 . . . . 74.24 112.03 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.33 34.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.331 -0.856 . . . . 73.44 110.932 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.99 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 74.45 111.157 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -64.95 -63.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.87 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.02 -40.13 60.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 74.43 111.17 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -71.72 -29.72 64.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 73.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.71 -56.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.34 111.072 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -53.54 56.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.911 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.97 -25.32 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.935 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.84 -23.46 41.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 53.5 111.093 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -76.3 -33.98 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.842 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -112.43 12.21 20.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.842 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.646 -0.788 . . . . 63.13 112.537 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.75 166.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 74.33 111.1 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.05 118.57 37.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -130.64 159.05 38.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.29 125.19 25.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 155.46 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.2 mt -132.33 121.4 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.026 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.8 103.56 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 75.05 110.795 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.75 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.099 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.25 27.4 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.71 -34.01 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.12 111.022 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.84 147.69 65.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 71.34 111.138 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 -15.96 37.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 64.54 112.338 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.01 -26.2 39.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 64.45 110.827 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -89.77 -52.61 4.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.251 -0.431 . . . . 74.23 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -56.28 -28.63 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 74.53 110.917 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.86 -21.48 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.11 111.157 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.32 -35.05 68.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.874 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.28 -19.94 32.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.817 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.38 -24.1 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 54.32 110.89 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -83.04 -43.46 16.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -89.79 10.01 25.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 74.14 110.794 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.82 129.39 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 64.51 110.906 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.14 -102.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 75.12 112.546 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.817 ' NH1' HH11 ' B' ' 54' ' ' ARG . 10.3 mmt180 -83.1 -31.95 27.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.337 . . . . 74.23 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.52 35.81 20.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.609 1.164 . . . . 70.31 110.395 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 p -78.3 -44.55 25.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.452 0.701 . . . . 75.32 111.079 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -127.0 157.47 71.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 72.33 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.87 -179.73 3.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.642 2.228 . . . . 71.2 112.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.31 152.06 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.25 110.939 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -116.77 144.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 72.43 111.198 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -132.22 105.97 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 75.4 110.916 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.17 125.98 72.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 72.45 111.182 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.39 39.63 59.76 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 73.23 112.605 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 m 63.74 25.18 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 72.15 110.794 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.2 t -106.27 148.41 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -84.99 129.39 34.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.886 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.82 132.78 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 72.21 111.153 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.91 -29.82 14.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 74.03 112.54 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.58 -157.64 21.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.454 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.78 -35.82 45.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 64.33 110.896 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.08 -50.61 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.874 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.56 -44.44 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.932 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.43 -42.36 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.895 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.17 -41.78 89.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.87 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.83 -40.1 72.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.55 111.047 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.3 mt -61.45 -39.63 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.935 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.5 -32.84 70.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.841 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -55.73 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.912 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.1 -29.84 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.01 111.006 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.82 48.44 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 74.1 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -127.84 25.34 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 74.54 110.907 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.49 -36.38 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.948 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.46 -51.72 67.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 62.42 110.887 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.81 -25.48 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.832 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -51.04 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 74.03 110.954 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.9 -9.75 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 74.25 110.988 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -25.46 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 73.33 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.9 p -147.07 -46.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 53.32 111.095 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.16 104.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 73.33 112.538 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.52 172.52 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.816 0.341 . . . . 72.54 110.919 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.883 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.824 0.345 . . . . 73.54 111.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.96 147.88 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 72.21 110.901 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.03 147.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.5 111.107 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.35 152.24 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.52 111.118 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 tt -132.94 135.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 71.35 111.117 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.33 104.77 16.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.84 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.65 154.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 62.4 111.121 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.86 HH21 ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -60.13 160.45 16.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.43 110.823 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -12.71 33.31 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.711 2.274 . . . . 74.42 112.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 171.81 110.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 72.2 112.455 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.304 14.7 t 135.42 -0.83 0.0 OUTLIER Pre-proline 0 CA--C 1.573 1.843 1 C-N-CA 132.76 4.424 . . . . 74.1 121.177 153.902 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.98 -173.24 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 114.632 -3.112 . . . . 74.1 112.34 148.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.2 65.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.762 0.792 . . . . 74.24 111.723 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 p -93.98 34.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.291 -0.881 . . . . 73.44 110.834 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.02 -27.02 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.108 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -64.87 -63.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.54 110.913 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.04 -40.13 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -71.77 -29.71 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 73.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.45 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 73.34 111.154 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.17 -53.52 57.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.97 -25.24 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.009 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 -23.47 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 53.5 111.138 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -76.31 -33.88 59.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -112.44 12.16 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.82 28.01 22.31 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.717 -0.754 . . . . 63.13 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.76 165.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 74.33 111.086 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.02 118.48 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.893 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -130.6 159.05 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.31 125.14 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.918 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.43 155.45 31.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -132.31 121.36 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 74.32 111.095 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.77 103.58 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.05 110.844 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.92 179.81 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.125 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.2 27.35 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 75.24 110.819 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.64 -34.02 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 74.12 111.049 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.74 147.7 65.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 71.34 111.129 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.65 -15.95 37.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.717 2.278 . . . . 64.54 112.4 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.04 -26.21 39.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.78 -52.6 4.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -56.11 -28.73 58.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.945 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.82 -21.58 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.167 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.17 -35.2 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.16 -19.89 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.966 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.37 -24.12 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 54.32 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -83.01 -43.6 16.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.848 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -89.64 10.05 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.926 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.84 129.38 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.877 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.17 -102.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.485 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.817 HH11 ' NH1' ' A' ' 54' ' ' ARG . 10.3 mmt180 -83.01 -30.58 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 74.23 110.91 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m120 62.09 29.53 17.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.088 1.355 . . . . 70.31 112.038 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -75.1 -44.42 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.393 . . . . 75.32 111.158 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -127.07 157.37 72.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 72.33 110.931 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -179.76 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.702 2.268 . . . . 71.2 112.363 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.32 152.03 22.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 mm -116.85 144.43 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 72.43 111.046 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -132.26 105.99 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.4 110.927 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.17 125.97 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.45 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.36 39.74 59.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 73.23 112.508 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m 63.65 25.17 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 72.15 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 36.6 t -106.24 148.45 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 70.01 111.174 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -85.05 129.39 34.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 73.12 110.788 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.86 132.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 72.21 111.117 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.85 14.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 74.03 112.436 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.62 -157.67 21.89 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.773 -0.727 . . . . 74.33 112.421 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.77 -35.86 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 64.33 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.05 -50.54 61.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.84 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.64 -44.49 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.873 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.36 -42.45 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 74.24 110.882 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.13 -41.74 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.89 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.55 111.087 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 61.3 mt -61.59 -39.49 91.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.955 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.53 -32.84 70.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.82 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -55.7 5.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.16 -29.76 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.922 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.71 48.52 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 74.1 112.465 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -127.85 25.36 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 74.54 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.52 -36.49 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.841 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.42 -51.76 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.42 110.867 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.69 -25.57 65.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -51.05 36.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 74.03 110.875 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.85 -9.89 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.97 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.64 -25.37 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.846 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 31.1 p -147.08 -46.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 53.32 111.111 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.2 104.65 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 73.33 112.484 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.6 172.49 10.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.803 0.335 . . . . 72.54 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -20.61 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 75.23 110.876 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 119.711 -1.868 . . . . 64.32 111.306 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.899 0.381 . . . . 70.14 111.09 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -162.19 146.21 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.852 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.21 140.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.3 111.162 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -133.6 138.23 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.44 111.115 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 tt -114.39 143.85 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.065 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -93.18 99.86 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.947 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -171.56 146.88 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 74.55 111.196 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 158.92 3.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 74.53 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 83.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 75.23 112.385 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 74.51 112.474 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 161.87 -46.69 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 126.39 1.876 . . . . 75.03 115.241 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.84 -173.35 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 CA-C-N 119.159 0.735 . . . . 74.14 112.393 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -64.81 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 116.397 -1.764 . . . . 71.42 110.312 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 p 32.67 47.84 0.11 Allowed 'General case' 0 C--N 1.343 0.294 0 C-N-CA 126.175 1.79 . . . . 75.01 110.907 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.34 -41.84 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 72.24 111.182 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -56.65 -44.97 81.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 73.05 110.811 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -62.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 43.42 111.139 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -53.22 -30.77 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.929 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.088 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.83 -52.96 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.991 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mt -56.05 -25.54 45.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.953 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.03 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.074 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -76.51 -31.12 57.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.839 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.45 13.97 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.88 28.01 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 71.34 112.487 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.29 169.89 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 73.15 111.1 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.76 152.18 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -166.73 153.24 8.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.882 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.05 124.42 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.894 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -77.66 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.24 110.924 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -117.75 118.48 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.229 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -69.02 107.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.884 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.4 178.82 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.092 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m 59.38 26.33 15.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 71.44 111.069 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.45 147.61 63.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 74.22 111.14 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.11 36.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 73.14 112.35 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -74.51 -58.16 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 70.33 110.759 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.68 -57.69 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 63.32 110.95 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -51.9 -32.02 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.857 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.33 73.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 51.32 111.093 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.2 -50.2 74.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 64.13 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtp -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 72.02 110.903 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.24 -27.51 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 75.45 110.892 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.02 -53.3 54.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.847 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.64 -32.96 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 74.21 110.808 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 56.99 39.74 29.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 63.04 110.898 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.04 -173.66 2.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 73.42 112.499 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -53.67 167.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 74.4 110.846 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -125.1 39.52 3.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.43 0.692 . . . . 65.23 111.347 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -109.03 -26.16 10.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.476 -0.765 . . . . 75.33 111.137 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.1 157.26 69.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 73.31 110.836 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -176.8 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.3 112.303 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -113.34 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.9 150.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 74.55 111.05 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -140.37 139.32 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 73.42 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.12 109.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.34 111.138 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.62 -119.49 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 74.24 112.556 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.56 27.57 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 72.41 110.876 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.51 145.51 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 71.43 111.099 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -100.2 145.56 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.861 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.7 t -138.15 128.89 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.2 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.73 -85.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.479 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.03 -161.19 10.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 73.24 112.432 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 p -51.89 -32.22 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 73.42 110.878 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.45 -51.18 60.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.824 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.76 -43.79 35.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -41.32 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -74.89 -41.8 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.938 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.13 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 53.44 111.165 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.91 -38.74 91.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.22 -31.3 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.2 -52.93 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.784 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.61 -25.88 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 63.42 110.93 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.29 50.29 1.75 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 74.33 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -129.97 24.46 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 75.12 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -90.1 -36.65 14.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 73.22 110.895 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.29 -60.93 2.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 71.34 110.818 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -67.04 -16.26 64.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.874 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.36 -47.6 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.968 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.33 -17.5 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 71.45 110.933 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -39.04 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 74.12 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -141.65 -41.63 0.36 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 64.25 111.126 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.17 101.46 2.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 25.42 112.464 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.09 176.51 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 74.24 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 75.23 110.973 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.858 0.361 . . . . 70.14 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -162.2 146.19 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.863 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.15 140.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.3 111.1 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -133.67 138.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 71.44 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 tt -114.42 143.84 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.101 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -93.18 99.94 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 t -171.62 146.92 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 74.55 111.157 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 159.0 3.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 74.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 83.89 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 75.23 112.38 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 111.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 74.51 112.482 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.257 11.7 m 144.64 -26.44 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 C-N-CA 131.064 3.746 . . . . 75.03 120.255 168.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.23 -174.34 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 115.49 -2.54 . . . . 74.14 112.361 161.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -69.19 -74.12 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 114.704 -2.569 . . . . 71.42 110.633 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.1 p 33.14 47.96 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 120.383 1.447 . . . . 75.01 110.879 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.44 -41.78 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 72.24 111.17 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -56.71 -44.86 81.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.876 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -62.8 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 43.42 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -53.09 -30.87 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.937 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.02 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.127 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.9 -52.93 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.931 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mt -56.05 -25.54 45.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.95 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.04 25.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.136 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.55 -31.06 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.856 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.48 13.97 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.86 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 28.0 23.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 71.34 112.48 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.39 169.84 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 73.15 111.071 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.6 152.22 19.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 72.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -166.79 153.24 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.841 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.03 124.46 23.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -77.78 144.36 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.841 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -117.86 118.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.488 . . . . 71.24 111.106 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.97 107.88 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.882 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.47 178.81 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.43 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m 59.34 26.38 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.894 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.95 -35.22 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.102 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.52 147.7 63.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 74.22 111.086 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -15.12 36.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 73.14 112.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -74.46 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 70.33 110.797 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -56.71 -57.65 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.911 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -52.0 -31.89 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.901 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.23 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 51.32 111.118 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.21 -50.21 74.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 64.13 110.852 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.0 mtp -71.28 -29.13 64.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 72.02 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.12 -27.65 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.924 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.04 -53.19 56.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.63 -33.02 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.81 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 57.01 39.79 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 63.04 110.872 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -173.7 2.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 73.42 112.438 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -53.67 167.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 74.4 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -126.81 45.22 2.73 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.278 0.631 . . . . 65.23 111.108 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -114.08 -26.01 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.783 0.325 . . . . 75.33 111.13 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.15 157.35 69.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.31 110.826 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.93 -176.77 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.269 . . . . 73.3 112.313 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -113.44 140.69 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 71.43 110.925 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.83 150.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.55 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.43 139.29 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.08 109.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.34 111.136 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.61 -119.48 12.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 74.24 112.417 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.58 27.61 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 72.41 110.856 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.55 145.48 25.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 71.43 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -100.13 145.51 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.903 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 37.6 t -138.18 128.87 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 64.1 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -85.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.33 112.516 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.97 -161.14 9.96 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 73.24 112.48 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -51.93 -32.2 31.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.914 0.388 . . . . 73.42 110.883 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.41 -51.27 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.44 110.805 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.67 -43.79 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.921 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.92 -41.33 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 74.53 110.874 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -74.94 -41.74 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.921 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.67 -42.12 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 53.44 111.165 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.86 -38.79 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.23 -31.33 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.856 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.11 -52.86 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 64.13 110.88 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.62 -25.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.42 110.88 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.35 50.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 74.33 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -129.94 24.42 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 75.12 110.862 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -90.01 -36.68 14.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.857 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.34 -60.84 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 71.34 110.813 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -67.12 -16.28 64.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 71.51 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.41 -47.53 19.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.95 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.44 -17.46 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.869 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -38.97 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.883 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -141.65 -41.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 64.25 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.18 101.49 2.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 25.42 112.476 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.1 176.47 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 74.24 110.92 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 -28.26 11.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 115.707 -2.092 . . . . 74.42 111.418 -171.661 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.782 0.325 . . . . 73.2 111.147 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -172.78 146.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 64.24 110.873 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 t -85.06 145.52 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.062 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.65 145.18 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 72.31 111.081 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 tt -127.29 126.62 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 71.21 111.104 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -89.74 101.91 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.81 170.38 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 75.25 111.159 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 135.48 87.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.626 0.726 . . . . 74.3 110.849 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 77.46 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.738 2.292 . . . . 71.44 112.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.55 98.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 72.01 112.443 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 162.28 -49.47 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.299 0 C-N-CA 126.782 2.033 . . . . 64.0 115.579 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.23 -171.34 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 117.901 -0.933 . . . . 65.24 112.31 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -93.64 42.11 1.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 119.634 -1.916 . . . . 74.12 110.389 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.64 43.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.368 -0.832 . . . . 54.21 110.937 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.41 17.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -65.81 -46.14 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 71.32 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.65 73.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 54.35 111.109 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -64.5 -43.61 93.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.821 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.2 111.123 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.56 -47.24 82.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 74.05 110.897 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.813 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.81 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -72.42 -54.99 7.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.888 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.9 7.88 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.9 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.29 35.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 63.14 112.442 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.37 169.89 17.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 63.33 111.119 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.8 160.07 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 73.2 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -165.98 148.28 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 65.23 110.882 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.27 126.63 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.922 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -81.24 158.04 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 74.25 110.827 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mm -127.93 123.64 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 74.11 111.076 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -73.63 104.37 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.848 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.95 -179.89 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.063 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.55 21.21 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.11 110.819 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.48 -33.28 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 55.24 111.136 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.58 148.42 64.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.602 0.715 . . . . 72.35 111.097 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -11.69 31.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 75.11 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.97 -49.25 12.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 73.03 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.49 -56.49 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.05 110.866 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.9 -27.6 31.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.961 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.76 -44.38 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.24 111.061 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.42 -53.89 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 71.52 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -56.93 -24.24 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.864 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.43 -21.65 60.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.911 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.78 -43.02 80.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.812 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.04 10.53 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.05 110.822 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.59 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 70.31 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.96 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.806 -0.712 . . . . 62.15 112.469 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -97.81 121.51 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 73.41 110.824 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 73.79 7.94 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.541 -1.349 . . . . 73.43 109.0 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -113.72 -24.64 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.66 -1.154 . . . . 74.53 111.099 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.75 158.38 34.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.742 . . . . 74.24 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -178.36 2.28 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.735 2.29 . . . . 74.1 112.328 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.13 125.24 52.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.86 150.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 73.4 111.069 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.19 126.04 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 pt -134.81 123.1 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 75.54 111.107 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.37 -117.47 6.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 64.12 112.484 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.62 25.84 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 74.35 110.83 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.95 142.73 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 72.54 111.087 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.96 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.866 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.89 88.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 75.25 111.216 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.72 74.87 1.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.777 . . . . 73.24 112.479 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.6 110.99 0.41 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.757 -0.735 . . . . 70.43 112.525 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -51.85 -32.52 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.5 110.84 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.92 -35.83 77.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.03 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -67.01 -32.6 73.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.35 110.917 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -30.4 69.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 73.21 110.921 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.11 -28.56 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -50.66 70.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 72.01 111.058 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.09 -42.67 98.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -31.45 72.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 73.34 110.861 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.05 -35.95 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.54 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.18 -30.22 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.792 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.5 42.22 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.833 -0.699 . . . . 73.25 112.422 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -129.42 29.36 5.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.874 0.368 . . . . 74.22 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.03 -36.99 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.874 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.97 -65.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.84 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -58.24 -22.21 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 73.01 110.895 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -73.34 -45.94 52.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.479 . . . . 75.55 110.936 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.79 -9.87 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 71.01 110.872 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -31.64 12.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 75.41 110.925 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.3 p -137.56 -47.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.148 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.33 73.54 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.677 -0.773 . . . . 55.53 112.488 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -125.06 150.24 47.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 74.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.956 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.813 0.339 . . . . 73.2 111.192 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -172.76 146.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.818 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 t -84.98 145.57 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 74.14 111.082 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.69 145.04 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.31 111.144 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 tt -127.22 126.64 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.092 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.8 102.01 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.917 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.88 170.33 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.25 111.146 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 135.41 87.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 74.3 110.843 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 77.54 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.774 2.316 . . . . 71.44 112.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 99.4 1.15 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 72.01 112.548 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 157.17 -42.04 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 C-N-CA 129.046 2.938 . . . . 64.0 117.643 171.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.13 -170.27 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 115.904 -2.264 . . . . 65.24 112.277 170.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.66 41.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 119.981 -1.699 . . . . 74.12 109.626 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.08 43.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.047 -1.033 . . . . 54.21 110.88 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.13 -31.39 17.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.07 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.85 -46.12 79.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.75 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 54.35 111.118 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -64.44 -43.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.876 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.18 61.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 72.2 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.57 -47.2 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.883 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 -24.66 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.054 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.49 -54.99 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.891 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.82 7.88 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.906 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.66 34.4 35.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.77 -0.729 . . . . 63.14 112.461 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.43 169.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 63.33 111.099 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.74 160.07 14.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -166.02 148.29 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 65.23 110.909 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.28 126.52 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.946 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -81.17 157.97 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.88 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -127.9 123.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 74.11 111.1 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.61 104.38 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.878 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.89 -179.9 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 72.43 111.154 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.57 21.22 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.812 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.52 -33.14 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 55.24 111.172 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.64 148.39 64.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 72.35 111.145 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -11.64 31.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 75.11 112.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.02 -49.19 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 73.03 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.52 -56.41 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 75.05 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.87 -27.76 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.879 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.65 -44.45 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -70.34 -53.99 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 71.52 110.83 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -57.0 -24.17 51.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.4 -21.71 60.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.945 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.71 -42.97 81.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.857 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.16 10.6 23.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.05 110.871 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.55 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.857 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.63 -102.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 62.15 112.451 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mmt-85 -97.84 125.51 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 73.41 110.893 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.13 61.12 6.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.595 -0.729 . . . . 73.43 112.242 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.1 p -112.44 -24.68 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.917 -0.489 . . . . 74.53 111.11 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.76 158.37 34.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 74.24 110.833 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 74.1 112.284 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.08 125.26 52.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.912 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.88 150.89 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.4 111.084 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -146.14 126.02 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 73.12 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 pt -134.7 123.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 75.54 111.147 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.38 -117.5 6.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 64.12 112.488 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.64 25.9 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 74.35 110.86 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.01 142.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 72.54 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.98 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 75.52 110.846 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.88 88.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.25 111.184 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.79 74.83 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 73.24 112.468 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.64 110.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 70.43 112.469 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.3 t -51.8 -32.52 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.5 110.905 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.96 -35.84 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 73.03 110.806 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.01 -32.63 73.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -30.37 69.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.886 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.11 -28.57 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.853 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.61 70.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.01 111.136 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.14 -42.62 98.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.85 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -31.43 72.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.881 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -36.01 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.54 110.855 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -76.23 -30.01 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.34 42.13 1.54 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 73.25 112.543 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -129.38 29.41 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 74.22 110.94 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.12 -36.88 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -58.03 -65.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 70.24 110.856 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 47.8 m -58.33 -22.15 52.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 73.01 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.4 -45.99 51.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.55 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.73 -9.89 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 71.01 110.864 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -31.59 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 75.41 110.916 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 25.1 p -137.53 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.174 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.4 73.58 1.03 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 55.53 112.427 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -125.06 150.19 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 74.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.48 -22.87 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.963 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.245 0.829 0 N-CA-C 109.438 -0.579 . . . . 73.23 109.438 -169.198 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.877 0.37 . . . . 75.15 111.094 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.84 147.44 40.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 t -94.89 133.52 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 72.53 111.182 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.83 149.26 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 64.53 111.129 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 tt -132.77 140.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.42 111.153 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.82 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.974 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.08 148.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.23 111.112 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -59.44 160.67 12.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 72.02 110.861 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 78.85 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 75.44 112.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 73.43 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m 162.32 -49.51 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.405 0 C-N-CA 127.218 2.207 . . . . 71.54 114.24 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.21 -170.72 0.44 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 119.606 0.895 . . . . 74.34 112.273 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.98 47.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.965 0.888 . . . . 72.04 109.311 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.66 34.67 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.394 -0.816 . . . . 62.21 110.877 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.15 -35.25 21.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.78 -48.89 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.8 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 71.14 111.164 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.55 -29.4 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.977 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.12 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 54.1 111.11 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -49.53 40.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.86 -39.55 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.55 110.936 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.38 53.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.149 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.41 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.809 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -94.75 10.34 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.36 20.17 43.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 74.24 112.553 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 169.49 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 74.25 111.133 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -104.0 159.85 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.86 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -160.58 164.5 31.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 74.02 110.894 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -137.91 130.8 29.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.43 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -94.59 136.58 34.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.887 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -104.15 132.72 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 75.41 111.109 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.05 91.51 1.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.78 179.86 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 16.79 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 -5.51 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.3 152.79 2.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.572 0.701 . . . . 63.42 111.046 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -7.97 22.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.687 2.258 . . . . 74.51 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -50.81 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 54.02 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.95 -40.5 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 53.42 110.917 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.35 -28.58 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.908 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.63 48.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 75.33 111.046 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.63 -35.39 45.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 74.43 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.1 mtp -90.79 -24.49 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 72.24 110.813 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -19.86 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 74.51 110.915 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.33 -49.1 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.08 -60.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 63.15 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -67.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.789 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.12 3.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 42.35 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -73.63 -23.34 59.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 74.12 110.92 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 60.48 27.63 17.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.123 1.514 . . . . 72.02 110.677 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 t -58.55 -30.31 67.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.659 -1.155 . . . . 65.2 111.117 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -141.34 157.58 65.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 73.43 110.875 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 161.82 44.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 71.12 112.42 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 118.0 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.978 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.0 mm -90.02 128.2 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 74.11 111.109 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.65 143.8 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 74.14 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.5 mt -145.33 111.91 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.25 111.151 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.53 -102.97 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 73.05 112.471 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.7 p -117.85 35.02 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 73.54 110.824 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.47 145.08 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 73.21 111.165 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -120.94 101.68 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.823 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.43 89.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 65.44 111.088 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.52 79.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.816 -0.707 . . . . 64.22 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.38 110.55 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.41 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.2 m -54.44 -30.41 52.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 75.52 110.832 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.11 -28.43 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 70.24 110.867 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -69.57 -37.89 77.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.895 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.44 -34.63 78.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.938 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.86 -30.07 61.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.858 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.38 79.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 61.43 111.153 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.83 -46.53 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.939 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -53.39 -35.32 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.867 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -45.5 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.831 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.1 -29.8 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.03 110.916 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 36.51 4.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 72.23 112.543 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -122.97 29.97 6.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 72.23 110.901 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.2 -37.19 18.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.81 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -59.18 -63.25 1.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 62.11 110.841 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -20.33 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 63.42 110.88 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.51 -52.11 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.24 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.45 -16.6 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.987 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 -40.16 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.977 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 p -130.78 -46.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 74.32 111.154 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.68 103.95 2.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 71.41 112.452 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 71.24 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.931 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 75.15 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.83 147.49 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.1 110.82 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 t -94.93 133.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.53 111.119 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.86 149.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 64.53 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 12.5 tt -132.71 140.93 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.116 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.91 104.27 16.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.959 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.12 148.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 75.23 111.112 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -59.48 160.65 12.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 72.02 110.839 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.76 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.696 2.264 . . . . 75.44 112.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.32 112.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 73.43 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 42.1 t 156.64 -44.71 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 C-N-CA 128.863 2.865 . . . . 71.54 116.148 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.67 -170.4 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 115.818 -2.321 . . . . 74.34 112.367 171.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -94.03 44.93 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 120.756 -1.215 . . . . 72.04 109.937 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.47 34.73 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.68 -0.637 . . . . 62.21 110.938 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.2 -35.15 21.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.112 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.96 -48.82 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.817 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.76 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 71.14 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.49 -29.45 67.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.939 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.09 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.1 111.099 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.4 -49.53 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.991 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.86 -39.52 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.97 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.32 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 73.42 111.123 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.839 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -94.77 10.36 35.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.896 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.5 20.03 43.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.86 169.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 74.25 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -103.95 159.8 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.941 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -160.56 164.52 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.925 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -137.87 130.81 30.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -94.59 136.59 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -104.22 132.73 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 75.41 111.106 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.96 91.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.74 179.76 6.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 74.12 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.16 16.67 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.54 -5.48 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.24 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.3 152.81 2.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.513 0.673 . . . . 63.42 111.177 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.96 22.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 74.51 112.331 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -66.65 -50.71 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 54.02 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.94 -40.57 18.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.899 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.28 -28.61 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.25 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.82 -9.68 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 75.33 111.079 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.7 -35.34 45.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.2 mtp -90.86 -24.46 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.98 -19.79 64.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.29 -49.17 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.974 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.09 -60.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 63.15 110.911 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.46 -67.62 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.785 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.4 -59.2 3.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 42.35 112.481 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -73.56 -20.74 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 74.12 110.971 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 9.9 m120 58.71 29.11 18.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.28 1.032 . . . . 72.02 110.493 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 2.8 t -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 65.2 111.076 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -141.24 157.6 66.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 73.43 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 71.12 112.382 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.6 117.97 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.961 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 24.8 mm -89.92 128.13 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.175 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.59 143.78 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 10.3 mt -145.32 111.85 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.197 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.58 -103.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 73.05 112.465 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -117.86 35.02 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 73.54 110.861 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -115.49 145.03 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.21 111.138 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -120.92 101.61 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 64.01 110.815 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.37 89.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 65.44 111.136 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.64 79.5 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 64.22 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.45 110.42 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 74.43 112.477 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 64.1 m -54.42 -30.31 52.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 75.52 110.927 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -76.2 -28.41 57.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 70.24 110.856 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.826 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.41 -34.7 78.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 73.2 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.45 79.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.074 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.86 -46.5 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -53.41 -35.3 60.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.5 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -45.56 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 65.44 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.16 -29.63 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.931 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.61 36.57 4.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -123.07 30.01 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.23 110.863 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.21 -37.2 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.4 110.887 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -59.14 -63.29 1.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.832 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -20.34 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 63.42 110.948 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.59 -51.97 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 73.24 110.884 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.53 -16.6 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.91 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -40.08 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.952 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -130.84 -47.02 1.03 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.077 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.75 103.92 2.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.76 . . . . 71.41 112.403 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 71.24 110.829 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.57 -23.62 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.96 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--O 1.248 0.975 0 N-CA-C 107.782 -1.192 . . . . 72.41 107.782 -176.629 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 65.11 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.86 131.33 54.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 71.45 110.865 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.11 146.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.125 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -139.99 154.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 72.21 111.131 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 tt -142.35 140.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 73.01 111.096 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -89.75 109.67 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.5 151.18 28.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 74.02 111.176 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.733 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 32.5 mtt85 -84.3 154.52 63.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 74.51 110.909 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.28 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.707 2.271 . . . . 72.24 112.409 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.566 ' O ' ' HB2' ' A' ' 16' ' ' CYS . . . 77.34 96.61 0.2 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 70.11 112.507 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.733 ' SG ' ' HD2' ' A' ' 13' ' ' ARG 0.359 37.6 t 177.32 -68.88 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.202 1 O-C-N 115.755 -4.379 . . . . 70.0 100.486 -157.557 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -86.62 -174.8 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.102 1 C-N-CA 133.963 9.775 . . . . 73.32 112.376 -172.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -112.01 57.37 0.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 122.395 1.093 . . . . 75.43 112.215 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -92.13 45.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 119.565 -1.96 . . . . 72.12 110.855 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -44.46 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.121 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -62.11 -41.61 98.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 62.14 110.84 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -64.28 -22.59 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 72.4 110.94 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.8 -41.06 61.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.132 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -88.42 -46.5 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.922 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.75 -42.67 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.956 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.54 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 64.1 111.12 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -24.09 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 71.02 110.811 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -93.35 -10.34 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.888 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.31 6.95 88.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.789 -0.719 . . . . 72.31 112.455 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 154.03 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 74.22 111.075 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.99 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.862 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 71.34 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -149.84 124.38 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -77.42 159.99 29.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 74.42 110.817 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -137.21 104.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 72.34 111.095 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.49 103.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 65.23 110.849 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.2 178.36 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 74.21 111.103 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.04 26.63 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.917 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.65 -34.04 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 74.33 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.39 147.54 60.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.499 0.666 . . . . 74.1 111.243 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -16.95 37.58 Favored 'Trans proline' 0 C--N 1.34 0.108 0 C-N-CA 122.734 2.289 . . . . 71.32 112.248 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -37.37 70.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 73.04 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.6 mt -89.75 -50.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.04 110.849 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -52.35 -29.84 25.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.02 88.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.143 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -73.37 -42.8 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.885 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.0 ttp -71.4 -26.03 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.24 110.799 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.16 -26.62 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 73.41 110.927 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.99 -40.21 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 65.03 110.952 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.07 -26.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.2 m -52.21 140.85 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.858 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.1 -20.99 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.51 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.46 -39.82 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 75.32 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 57.98 41.99 23.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.237 -1.347 . . . . 75.22 110.722 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -105.0 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.946 -1.025 . . . . 75.33 111.202 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.79 157.39 52.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.772 0.796 . . . . 75.12 110.804 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 172.31 12.73 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.666 2.244 . . . . 74.42 112.409 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -97.75 116.47 30.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.9 mm -90.14 143.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.146 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.64 139.73 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.815 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.1 pt -146.51 117.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.069 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.69 -118.56 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.766 -0.73 . . . . 73.23 112.471 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -110.26 25.03 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 74.1 110.85 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.92 144.64 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.159 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.19 146.21 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.52 127.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 72.15 111.142 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.48 -52.72 31.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.814 -0.708 . . . . 73.43 112.459 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.64 -153.87 24.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 52.11 112.527 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -51.98 -36.21 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 62.3 110.895 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -49.16 68.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.897 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.55 -43.52 26.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.87 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.31 -34.18 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 72.4 110.99 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -76.87 -41.81 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 63.25 111.077 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.49 -39.58 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.74 -29.47 64.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.896 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.05 -54.14 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 73.33 110.915 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.98 -26.12 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.38 34.56 6.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.771 -0.728 . . . . 71.31 112.539 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.51 26.42 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 74.52 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -78.9 -36.31 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.935 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -55.98 -55.55 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 75.53 110.852 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -61.77 -33.27 73.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -55.89 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 75.14 110.943 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.58 -21.41 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 64.24 110.944 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -40.0 46.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.913 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -147.04 -42.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.32 111.107 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.65 112.06 2.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 63.54 112.394 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.36 130.34 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 73.31 110.915 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.55 110.95 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.774 0.321 . . . . 65.11 111.056 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.89 131.34 54.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 71.45 110.82 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 t -98.06 146.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.124 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.04 154.1 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.21 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 tt -142.22 140.78 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.149 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 74.03 110.94 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.53 151.13 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.208 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 mtt85 -84.34 154.57 63.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 74.51 110.874 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 78.28 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.733 2.289 . . . . 72.24 112.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.35 102.85 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 70.11 112.484 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 16' ' ' CYS 0.315 37.2 t 162.24 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 C-N-CA 129.261 3.024 . . . . 70.0 116.412 174.022 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -63.44 -172.0 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.427 -2.582 . . . . 73.32 112.327 176.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -117.04 58.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 124.178 0.991 . . . . 75.43 110.437 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -93.03 45.56 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.082 -1.011 . . . . 72.12 110.949 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -44.46 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 74.43 111.102 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -62.14 -41.63 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 62.14 110.857 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.29 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -64.29 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 72.4 110.859 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.7 -41.15 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.063 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -88.42 -46.42 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.997 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.71 -42.73 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.51 111.011 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.5 71.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 64.1 111.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -24.01 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.828 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -93.44 -10.39 35.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.956 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.43 6.89 88.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 72.31 112.476 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.39 154.07 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.739 0.304 . . . . 74.22 111.119 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.88 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.938 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.898 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -149.88 124.33 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 74.31 110.925 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -77.3 159.99 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.873 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -137.25 104.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 72.34 111.107 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.43 103.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 65.23 110.929 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.11 178.27 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.085 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.11 26.54 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.56 -34.07 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.33 111.072 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.37 147.61 60.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 74.1 111.165 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -17.05 37.55 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 71.32 112.215 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.75 -37.38 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 73.04 110.917 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -89.68 -50.6 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.951 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -52.39 -29.88 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.931 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.99 88.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 72.11 111.052 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -73.34 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 12.1 ttp -71.41 -26.03 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.24 110.809 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.06 -26.63 68.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 73.41 110.911 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -69.98 -40.32 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 65.03 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.08 -26.32 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 75.41 110.836 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.6 m -52.01 140.84 19.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 73.54 110.903 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.07 -21.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 72.33 112.508 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.47 -39.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 75.32 110.865 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 54.75 44.73 28.04 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.914 1.285 . . . . 75.22 110.746 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -105.25 -60.2 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.389 -1.278 . . . . 75.33 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.73 157.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 75.12 110.866 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 172.32 12.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.645 2.23 . . . . 74.42 112.315 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -97.73 116.34 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.921 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.9 mm -90.01 143.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.138 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.69 139.67 42.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 7.1 pt -146.55 117.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.53 111.115 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.89 -118.66 7.5 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.694 -0.765 . . . . 73.23 112.457 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -110.24 25.06 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.1 110.907 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.2 t -117.89 144.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 74.32 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.14 146.21 26.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 73.3 110.854 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.52 127.92 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.15 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.49 -52.61 32.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.486 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.59 -153.92 24.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.753 . . . . 52.11 112.476 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -51.94 -36.26 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 62.3 110.867 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -49.25 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 75.02 110.819 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.49 -43.54 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.937 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.24 -34.3 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 72.4 110.95 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.85 -41.83 42.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 70.24 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.71 -41.47 67.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 63.25 111.124 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.38 -39.73 94.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.63 -29.52 64.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 72.51 110.88 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.04 -54.16 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 73.33 110.858 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.96 -26.09 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.861 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.32 34.63 6.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 71.31 112.502 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.62 26.42 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 74.52 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -78.83 -36.35 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.956 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.03 -55.51 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.874 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -61.7 -33.29 73.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.877 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -55.89 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.969 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.49 -21.44 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.24 110.947 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -40.1 46.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.931 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -146.99 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.64 111.95 2.38 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.702 -0.761 . . . . 63.54 112.465 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.33 130.36 30.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.31 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -31.39 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.55 110.9 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.473 0.699 0 O-C-N 117.595 -3.191 . . . . 74.33 108.673 -170.696 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.79 0.328 . . . . 74.42 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -143.24 128.86 19.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.15 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.7 150.36 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.154 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -139.63 153.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.235 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tt -132.65 136.49 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.141 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.8 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.956 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.14 152.77 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.02 111.098 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.819 HH12 ' HA ' ' B' ' 16' ' ' CYS . 1.8 mtt180 -66.43 160.12 68.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 75.43 110.853 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 87.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 73.1 112.266 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.8 97.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 72.5 112.51 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.006 ' C ' HH12 ' B' ' 13' ' ' ARG . 0.0 OUTLIER -177.6 -110.79 0.0 OUTLIER Pre-proline 1 N--CA 1.374 -4.27 2 N-CA-C 86.928 -8.916 . . . . 73.01 86.928 -176.219 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.686 ' N ' HH12 ' B' ' 13' ' ' ARG . 53.1 Cg_endo -34.24 -176.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 1 C-N-CA 135.025 10.484 . . . . 73.45 112.279 -161.741 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.52 -77.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 115.564 -2.16 . . . . 62.24 111.34 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.74 47.13 0.15 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 125.021 1.328 . . . . 72.03 110.902 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -42.49 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.52 111.109 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.5 -47.13 80.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 73.5 110.94 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.87 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.14 111.126 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -63.97 -45.71 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.852 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -60.36 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 60.05 111.103 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.8 tp -51.82 -53.88 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.908 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.18 -22.47 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.902 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.89 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 70.52 111.1 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.41 -35.56 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.848 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -107.96 16.28 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 72.14 110.868 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.41 20.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 54.52 112.425 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.01 156.77 39.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 75.54 111.05 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.23 157.79 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -170.23 153.45 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.53 127.12 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.35 155.65 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -130.34 124.57 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.14 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.45 98.1 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.951 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.58 179.22 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.036 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.31 26.35 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 63.33 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.52 -35.93 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.01 111.162 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.94 147.58 63.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.727 . . . . 74.14 111.158 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.63 36.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.276 . . . . 75.45 112.369 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.35 -48.51 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.7 -57.87 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.958 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -53.49 -28.32 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.3 110.887 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.46 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.159 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.0 -49.04 40.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.979 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.39 -20.34 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 63.41 110.8 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -63.5 -53.48 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 74.3 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.42 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.862 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.26 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.832 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -51.94 163.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 73.01 110.845 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.92 117.1 3.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.504 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.93 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 73.14 110.902 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.46 49.18 0.81 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 74.0 111.9 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 t -94.49 -26.91 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 120.976 -1.078 . . . . 71.45 111.14 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -138.86 157.35 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.691 0.758 . . . . 75.42 110.897 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.22 3.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.813 2.342 . . . . 74.01 112.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.92 125.14 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 75.52 110.87 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.3 mm -96.5 115.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.125 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.18 117.31 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 pt -114.22 95.44 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.097 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.05 -97.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.505 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.2 38.81 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 72.22 110.855 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -139.4 143.05 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.182 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.45 145.76 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.9 t -135.41 138.13 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.24 111.111 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.14 -48.14 40.14 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 70.35 112.555 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.17 -155.81 26.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 63.14 112.507 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -52.06 -29.95 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 75.5 110.93 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.59 -54.35 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.796 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.42 -41.64 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 75.54 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -52.0 -29.87 22.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -37.95 29.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.9 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.11 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.95 -42.26 75.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -30.43 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.964 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.02 -41.48 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 75.04 110.926 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -70.08 -29.84 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.2 33.39 3.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 62.15 112.524 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 72.03 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -87.42 -38.06 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.63 -59.91 3.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.851 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.6 -26.37 67.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.76 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.68 -42.14 78.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.939 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -89.83 -15.03 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.909 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.98 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.929 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.0 p -145.53 -52.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.25 111.132 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 41.34 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 72.24 112.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.26 137.86 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 74.32 110.942 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 65.13 110.975 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.809 0.338 . . . . 74.42 111.098 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -143.23 128.92 19.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.509 . . . . 61.15 110.935 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.82 150.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.116 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.69 153.23 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.45 111.085 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tt -132.75 136.47 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.098 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.84 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.19 152.71 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.133 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 1.006 HH12 ' C ' ' A' ' 16' ' ' CYS . 1.8 mtt180 -66.31 160.07 67.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 75.43 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 87.72 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.732 2.288 . . . . 73.1 112.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.7 95.3 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.695 -0.764 . . . . 72.5 112.473 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.819 ' HA ' HH12 ' A' ' 13' ' ' ARG 0.273 0.8 OUTLIER -173.05 -66.93 0.0 OUTLIER Pre-proline 0 N--CA 1.408 -2.54 0 C-N-CA 116.039 -2.264 . . . . 73.01 108.968 -169.859 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' B' ' 16' ' ' CYS . 53.0 Cg_endo -75.64 -174.66 2.1 Favored 'Trans proline' 0 C--O 1.231 0.145 1 C-N-CA 130.695 7.597 . . . . 73.45 112.27 -179.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 114.584 -2.626 . . . . 62.24 110.746 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.57 47.1 0.14 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 121.251 1.841 . . . . 72.03 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -42.42 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.48 -47.22 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.97 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.069 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -63.9 -45.72 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 75.45 110.879 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.69 -60.34 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 60.05 111.089 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 21.8 tp -51.88 -53.71 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.954 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.32 -22.38 52.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.891 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.6 -20.03 25.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.52 111.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.29 -35.67 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.799 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -107.86 16.17 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 72.14 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.84 27.42 20.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 54.52 112.506 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.69 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 75.54 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.1 157.75 22.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -170.18 153.54 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.23 110.941 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.55 127.08 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 65.51 110.935 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.33 155.65 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.96 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -130.27 124.56 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.286 -0.415 . . . . 75.11 111.15 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -82.51 98.09 8.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.963 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.47 179.24 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.195 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.32 26.36 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 63.33 110.799 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.46 -36.12 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 64.01 111.167 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.92 147.59 63.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 74.14 111.115 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -14.69 36.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 75.45 112.384 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.33 -48.58 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.65 -57.87 7.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.22 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -53.45 -28.38 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.903 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.24 -36.56 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 72.21 111.071 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.99 -49.06 40.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.27 -20.39 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 63.41 110.859 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -63.45 -53.54 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.38 -36.15 82.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.912 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.15 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -51.94 163.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 73.01 110.876 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.04 117.02 3.01 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.665 -0.779 . . . . 72.02 112.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.91 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 73.14 110.893 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.94 47.6 0.87 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.527 0.936 . . . . 74.0 113.527 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 3.7 t -90.4 -26.88 19.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.453 . . . . 71.45 111.186 -175.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -138.89 157.27 71.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 75.42 110.928 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.24 3.83 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.777 2.318 . . . . 74.01 112.325 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.93 125.09 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 75.52 110.872 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.4 mm -96.53 115.76 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.24 111.153 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.14 117.32 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.25 110.898 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 pt -114.22 95.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.076 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.16 -97.53 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 73.11 112.437 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.26 38.8 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 72.22 110.827 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 89.2 t -139.38 143.06 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 73.04 111.163 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.38 145.73 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.36 138.18 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.29 -48.11 41.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 70.35 112.456 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.82 26.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.683 -0.77 . . . . 63.14 112.426 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -51.93 -30.06 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 75.5 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.5 -54.48 36.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 75.14 110.747 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -81.37 -41.68 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 75.54 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -52.0 -29.78 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 71.54 110.922 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.73 -37.88 29.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 75.35 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.31 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.96 -42.19 75.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -30.49 68.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.879 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.03 -41.46 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 75.04 110.913 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -70.0 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.15 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.25 33.43 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 62.15 112.483 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -116.73 29.98 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 72.03 110.779 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -87.45 -38.02 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.929 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.77 -59.8 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.63 -26.35 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 70.43 110.776 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.68 -42.08 78.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.956 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -89.89 -15.0 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.944 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.97 20.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 72.25 110.932 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -145.6 -52.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 64.25 111.067 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.36 41.19 7.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 72.24 112.556 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.2 138.02 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 74.32 110.895 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.6 -18.22 54.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.945 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--O 1.249 1.046 0 N-CA-C 107.755 -1.202 . . . . 75.15 107.755 173.077 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.865 0.364 . . . . 73.44 111.048 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.86 143.88 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.22 110.851 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.7 t -86.31 134.52 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -135.01 148.23 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.186 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.36 134.31 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.187 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.32 100.28 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 62.5 110.934 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.77 173.79 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 72.22 111.089 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.83 159.6 34.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.734 . . . . 74.13 110.899 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.78 36.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 65.34 112.32 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.59 116.05 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 71.2 112.475 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 159.5 -51.18 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 127.596 2.359 . . . . 72.42 113.639 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.97 -171.78 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 119.073 0.705 . . . . 72.03 112.349 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.25 39.46 0.72 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.377 1.084 . . . . 62.54 112.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.19 -11.59 32.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.327 -1.483 . . . . 74.24 110.885 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.6 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 72.32 111.108 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.46 -59.18 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.64 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 72.1 111.071 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -67.88 -35.05 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.43 110.899 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 73.23 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.6 tp -56.07 -45.48 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 73.32 110.92 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.99 -25.5 44.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.886 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.1 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 111.133 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.28 -24.14 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 73.31 110.881 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -117.56 17.59 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.5 110.944 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.82 22.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 42.22 112.538 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.08 170.02 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 72.21 111.087 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.98 159.76 15.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.1 110.92 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -168.63 159.82 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.904 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.5 120.7 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.89 154.97 24.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.3 mt -132.78 115.98 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.33 111.183 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.68 109.87 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.923 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.51 179.94 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 63.14 111.081 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.18 27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 -33.95 3.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.137 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.95 147.61 64.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 74.14 111.189 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -15.55 37.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 71.42 112.348 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.15 -55.95 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -52.19 -33.85 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.828 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.31 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.41 111.055 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.68 -59.55 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 73.5 110.823 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.15 -26.82 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 73.11 110.843 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.13 -26.06 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 71.22 110.851 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -52.16 -54.78 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.922 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -74.77 -57.99 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 74.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 t 60.44 46.24 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.841 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.31 -149.57 24.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 63.41 112.508 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.27 170.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 74.32 110.852 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -131.34 22.34 4.78 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 122.931 0.492 . . . . 74.52 111.053 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -52.86 12.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.833 0.349 . . . . 72.25 111.116 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.38 158.15 47.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.735 0.778 . . . . 75.5 110.858 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 176.31 6.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 72.51 112.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.32 111.44 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.976 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.7 mm -91.82 144.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.111 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.7 139.82 31.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.1 mt -144.13 98.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.35 111.113 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.12 72.27 0.54 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.475 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.68 55.52 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 74.4 110.868 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 56.6 t -140.03 104.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.157 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.83 110.24 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 127.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 62.32 111.211 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.15 -45.96 27.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 73.24 112.455 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.14 -151.52 23.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 72.15 112.459 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.22 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 63.4 110.889 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -49.85 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 72.13 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -80.8 -44.04 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 65.43 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -51.79 -42.1 62.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.93 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.06 -40.82 60.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.35 -52.41 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 70.55 111.006 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.71 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 71.43 110.886 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.9 -41.52 98.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 70.13 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.4 -52.97 62.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.31 -30.03 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.875 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.0 49.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 73.12 112.533 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.05 29.94 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 74.34 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 pp -88.95 -37.03 15.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.964 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.48 -60.92 2.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 70.1 110.847 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -65.98 -22.19 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 65.11 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.65 -51.37 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.914 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.33 -9.93 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -40.1 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.55 110.877 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t -140.94 -41.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 72.21 111.22 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.27 109.43 2.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 64.13 112.508 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -144.63 139.07 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 73.22 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.947 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.959 0.409 . . . . 73.44 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.88 143.89 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 71.22 110.844 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -86.34 134.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 71.34 111.1 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.95 148.25 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.168 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.34 134.33 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 73.13 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.35 100.24 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 62.5 110.9 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.73 173.73 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.125 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.76 159.51 34.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 74.13 110.968 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.63 36.35 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 65.34 112.369 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.56 116.34 0.39 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.79 -0.719 . . . . 71.2 112.49 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' HD3' ' B' ' 17' ' ' PRO 0.256 25.1 p 154.11 -39.34 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 129.225 3.01 . . . . 72.42 116.581 173.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . 0.427 ' HD3' ' SG ' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.27 -172.02 0.58 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 117.13 -1.447 . . . . 72.03 112.331 170.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -86.97 49.0 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.468 1.127 . . . . 62.54 110.819 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.81 -11.51 20.71 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.095 -1.003 . . . . 74.24 110.909 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.56 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.035 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.52 -59.2 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 64.3 110.812 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.67 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -67.93 -35.09 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 64.43 110.848 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.62 -64.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 73.23 111.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 tp -56.02 -45.47 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.914 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.06 -25.43 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.866 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.98 -20.1 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.225 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.37 -24.12 57.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.861 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -117.51 17.59 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.5 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.14 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.751 . . . . 42.22 112.49 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.08 170.04 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 72.21 111.053 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -104.96 159.75 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.1 110.97 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -168.63 159.78 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.801 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.42 120.71 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.88 155.06 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.906 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.7 mt -132.81 115.95 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 71.33 111.136 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.77 110.0 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.853 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.58 179.98 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 63.14 111.042 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.17 26.97 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.86 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 72.54 111.082 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.97 147.64 64.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 74.14 111.169 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -15.55 36.73 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 71.42 112.328 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.94 -42.69 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.892 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.15 -56.07 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.888 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -52.09 -33.9 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.81 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.29 94.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.128 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.71 -59.39 4.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 61.7 mtp -63.32 -26.75 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.845 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -68.11 -25.98 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.15 -54.76 26.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -74.82 -58.02 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 74.23 110.849 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t 60.52 46.2 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.796 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.3 -149.59 24.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.23 169.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 74.32 110.846 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.97 26.66 4.6 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.994 -0.441 . . . . 74.52 111.362 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -52.83 11.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.839 0.352 . . . . 72.25 111.155 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.36 158.04 47.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 75.5 110.955 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 176.33 6.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 72.51 112.339 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.33 111.51 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 37.9 mm -91.84 144.77 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.096 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.68 139.82 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 75.33 110.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 5.2 mt -144.02 98.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.131 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.03 72.36 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.822 -0.704 . . . . 70.43 112.53 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.57 55.59 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 74.4 110.946 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.1 t -140.07 104.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 72.31 111.125 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.93 110.23 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.895 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.06 127.8 70.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.474 . . . . 62.32 111.137 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.07 -46.02 26.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.814 -0.708 . . . . 73.24 112.475 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.12 -151.54 23.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 72.15 112.476 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.18 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 63.4 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -49.9 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 72.13 110.837 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -80.73 -44.07 19.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.852 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.84 -42.04 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.915 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.0 -40.9 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 73.54 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.46 59.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 70.55 111.05 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.7 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.904 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.83 -41.48 97.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 70.13 110.943 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.46 -52.92 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 74.13 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -63.43 -29.86 71.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.935 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.98 49.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 73.12 112.534 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.14 29.97 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 74.34 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 pp -89.04 -37.12 15.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.89 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -60.96 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 70.1 110.882 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -66.07 -22.19 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.805 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.68 -51.23 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.957 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.4 -9.91 58.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.924 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.42 -40.09 16.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 65.55 110.868 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t -140.9 -41.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 72.21 111.206 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.34 109.48 2.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.664 -0.779 . . . . 64.13 112.426 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -144.65 138.98 27.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 73.22 110.962 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -18.62 23.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.919 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.242 0.709 0 N-CA-C 107.004 -1.48 . . . . 74.05 107.004 178.596 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.769 0.319 . . . . 64.45 111.161 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.21 138.42 54.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 52.13 110.907 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -79.82 140.24 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.115 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.66 146.15 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.122 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 tt -144.57 133.85 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.124 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -89.96 101.4 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.907 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -176.08 160.07 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 65.3 111.153 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -69.0 159.81 81.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 71.13 110.802 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.73 24.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 75.42 112.315 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.46 105.65 0.18 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.709 -0.758 . . . . 51.02 112.439 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.3 t 166.51 -51.16 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 127.137 2.175 . . . . 73.43 113.915 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -72.13 -170.71 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 O-C-N 121.829 0.384 . . . . 65.15 112.405 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -92.76 38.13 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.78 0.8 . . . . 71.34 111.303 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.85 30.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 120.984 -1.073 . . . . 64.45 110.832 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.88 33.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 61.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -68.2 -61.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.22 -40.64 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 75.22 111.045 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -74.01 -34.61 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.875 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.058 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -70.46 -51.21 30.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 72.51 110.907 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.02 -32.45 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.23 110.906 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.72 70.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.031 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -39.2 57.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 75.15 110.858 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -90.02 10.6 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.61 22.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 63.41 112.555 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.59 149.23 38.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 61.12 111.034 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -99.25 118.86 36.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -118.86 177.85 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.827 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.11 113.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 63.35 110.76 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.42 141.02 37.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 75.23 110.897 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -116.92 119.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 73.22 111.088 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.19 102.96 9.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 75.41 110.893 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.34 -179.91 7.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 75.25 111.093 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.78 24.21 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.856 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.26 13.15 4.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 70.23 111.129 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -178.12 147.24 0.59 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 73.51 111.163 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.59 37.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.229 . . . . 73.43 112.306 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.39 -44.66 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.23 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mt -90.07 -46.99 8.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.901 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -52.07 -33.58 39.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.829 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.14 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.119 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.37 -51.05 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.2 mmm -63.78 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 72.1 110.947 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.66 -25.73 68.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.846 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -52.09 -44.54 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.83 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.51 -59.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.911 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.92 33.72 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.05 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.85 -161.65 5.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.789 -0.72 . . . . 45.52 112.446 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.907 HH22 HH12 ' B' ' 21' ' ' ARG . 12.1 mmt180 -59.06 179.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 75.02 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' B' ' 18' ' ' TYR 0.292 0.1 OUTLIER -95.26 50.88 1.28 Allowed 'General case' 0 N--CA 1.479 0.992 0 O-C-N 118.429 -2.669 . . . . 73.11 109.969 -179.733 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.8 p -70.72 -172.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 113.861 -1.518 . . . . 70.04 111.166 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.5 156.88 1.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.734 0.778 . . . . 74.22 110.846 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 70.32 112.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.47 112.98 26.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 72.05 110.863 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.7 mm -89.86 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 73.33 111.079 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -142.91 131.74 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.89 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.5 mm -129.67 104.04 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.11 111.117 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.82 -89.09 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 73.23 112.533 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.27 24.55 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.943 0.401 . . . . 74.23 110.895 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.27 149.71 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 73.15 111.119 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.84 124.47 48.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.89 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -124.33 123.55 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 70.22 111.153 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.94 -37.42 35.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.713 -0.756 . . . . 52.02 112.468 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.98 -146.2 13.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 62.51 112.452 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -58.29 -22.74 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 75.1 110.844 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.89 -59.1 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.823 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.09 -35.11 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 44.55 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -51.74 -46.02 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.854 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -77.04 -28.32 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 75.23 110.839 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.69 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.23 111.131 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.99 -39.61 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.39 -36.54 76.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 74.53 110.832 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.65 -56.41 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.807 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.14 -21.04 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.23 21.46 35.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 75.02 112.496 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -77.27 -14.85 59.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 75.54 110.955 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.75 -36.34 36.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.85 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.3 -65.03 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.936 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.15 -17.75 63.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.72 -51.81 13.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.939 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.24 -9.84 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.862 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.53 -40.2 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 73.35 110.868 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -139.53 -41.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.03 111.157 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 65.35 1.41 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 65.01 112.554 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.15 149.35 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 71.34 110.822 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 74.54 110.934 179.867 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.889 0.376 . . . . 64.45 111.075 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.29 138.37 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 52.13 110.781 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -79.85 140.33 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 75.33 111.141 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.73 146.11 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 tt -144.49 133.72 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.147 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -89.95 101.41 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.92 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -176.08 160.09 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 65.3 111.122 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -68.81 159.81 80.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 71.13 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.602 2.202 . . . . 75.42 112.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.44 105.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 51.02 112.469 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.17 -53.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.547 0 C-N-CA 127.019 2.128 . . . . 73.43 112.364 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.37 -169.7 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 118.452 0.483 . . . . 65.15 112.423 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 3.2 m-85 -100.87 46.36 0.95 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.528 1.156 . . . . 71.34 109.022 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.89 30.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.998 -1.001 . . . . 64.45 110.84 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.86 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.907 HH12 HH22 ' A' ' 54' ' ' ARG . 13.1 mmt85 -68.32 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.908 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.32 -40.6 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.018 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -74.01 -34.58 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 74.23 111.143 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.39 -51.23 31.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.981 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.12 -32.4 47.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.83 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.7 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.093 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.81 -39.2 57.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -90.06 10.76 22.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.57 22.19 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.754 -0.736 . . . . 63.41 112.514 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.55 149.25 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 61.12 111.07 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -99.15 118.75 36.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -118.82 177.92 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.806 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.17 113.47 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.765 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.33 140.91 37.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 75.23 110.954 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.84 119.35 61.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 73.22 111.154 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.11 103.02 9.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 75.41 110.839 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.38 -179.9 7.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 75.25 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.87 24.13 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.772 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.19 13.0 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 70.23 111.16 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -178.03 147.3 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 73.51 111.142 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.67 37.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 73.43 112.324 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.35 -44.72 58.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.883 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.01 -46.98 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.935 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -51.96 -33.58 38.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.23 95.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.23 111.091 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.3 -51.06 40.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.9 mmm -63.75 -32.45 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.1 110.917 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.57 -25.89 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.804 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.92 -44.56 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.58 -59.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 71.13 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.91 33.75 12.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 72.05 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.83 -161.69 5.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 45.52 112.537 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.0 -179.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 75.02 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -76.79 34.99 0.15 Allowed 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 126.977 2.111 . . . . 73.11 114.801 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -79.08 -172.81 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 120.936 -1.102 . . . . 70.04 111.193 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.37 156.76 1.91 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 74.22 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.752 2.301 . . . . 70.32 112.358 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.37 113.0 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.05 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 32.8 mm -89.95 141.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.043 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -142.95 131.74 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.894 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 2.5 mm -129.7 104.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 74.11 111.064 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.93 -89.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.681 -0.771 . . . . 73.23 112.5 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.25 24.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 74.23 110.82 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.3 149.65 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.7 124.44 48.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.872 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 96.8 t -124.43 123.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 70.22 111.1 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -37.45 35.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 52.02 112.523 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.0 -146.14 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 62.51 112.521 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 39.8 t -58.28 -22.71 53.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 75.1 110.827 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.9 -59.1 4.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.85 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.94 -35.26 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 44.55 110.849 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -51.84 -45.9 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.907 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.03 -28.33 54.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.918 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.79 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.045 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.95 -39.59 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.39 -36.49 75.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 74.53 110.892 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -56.45 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -66.07 -21.03 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.852 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.46 35.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 75.02 112.509 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -77.26 -14.85 59.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 75.54 110.94 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.78 -36.26 36.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.875 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.33 -65.02 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.953 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.11 -17.79 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.879 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.74 -51.87 13.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.16 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.984 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -40.15 13.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.923 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -139.57 -41.1 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.102 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.51 65.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 65.01 112.514 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 149.4 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 71.34 110.828 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.896 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 tt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 116.974 -1.488 . . . . 75.31 110.702 179.131 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 121.432 0.462 . . . . 60.32 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -27.33 27.13 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 74.04 112.389 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.83 110.38 0.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.463 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -18.26 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 60.45 110.87 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -175.4 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.883 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.96 -177.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 72.15 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.35 55.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.814 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.44 150.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.43 111.123 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.02 151.54 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 70.41 111.144 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tt -136.06 135.33 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.135 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.68 106.72 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 72.25 110.935 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.95 146.14 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.34 111.111 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.1 160.73 81.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 73.54 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 78.22 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 70.15 112.305 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.51 105.42 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 73.43 112.462 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.257 31.7 m 147.08 -28.51 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 131.147 3.779 . . . . 74.03 120.966 164.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.22 -10.88 27.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 113.555 -3.83 . . . . 74.43 112.329 162.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 69.81 64.06 0.24 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.333 1.453 . . . . 73.5 110.99 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.23 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.818 -0.551 . . . . 52.12 110.917 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.36 -22.25 60.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.41 111.108 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.72 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.02 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -76.57 -27.84 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 74.25 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.33 -45.65 65.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.122 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 tp -76.1 -52.24 10.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.893 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.64 -30.31 21.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 73.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -37.16 62.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.069 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.41 -24.07 63.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 72.2 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -111.74 4.66 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.828 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.93 30.95 31.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 65.43 112.441 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.25 167.89 20.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 74.22 111.061 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.11 146.57 26.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.907 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -150.87 146.54 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 75.04 110.891 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.42 122.61 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -77.16 157.68 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -135.61 117.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.43 111.127 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.87 106.6 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.86 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.3 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.064 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.18 25.77 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.928 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.57 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.3 111.099 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.17 147.92 66.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 74.24 111.172 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -15.2 37.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.739 2.293 . . . . 72.5 112.347 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.3 -40.98 57.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.883 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.11 -46.57 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 71.42 110.933 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -52.0 -46.37 64.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 72.23 110.833 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.8 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 73.41 111.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.72 -58.31 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 64.54 110.846 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.19 -25.17 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 73.11 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.61 67.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.07 -41.93 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.885 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -89.86 10.04 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.37 152.62 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 74.05 110.915 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.46 118.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 70.3 112.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . 2.6 mpp_? 58.32 23.93 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 74.13 110.854 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.1 45.04 1.61 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.536 1.772 . . . . 71.42 109.888 -175.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -53.96 175.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 112.243 -2.253 . . . . 72.33 111.17 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.39 157.05 1.8 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 75.3 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.69 2.01 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.74 2.294 . . . . 75.44 112.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -109.72 149.45 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.1 mm -112.35 147.22 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.45 111.116 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.912 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.54 108.02 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.178 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.1 -116.25 6.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 74.43 112.508 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 m -107.86 26.52 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 71.54 110.873 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.1 t -121.5 144.41 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 75.2 111.143 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -97.26 152.9 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.3 t -140.1 131.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 70.53 111.155 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.63 -30.78 28.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 62.24 112.52 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.21 -134.77 7.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.721 . . . . 74.2 112.477 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 63.32 110.866 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.75 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 73.34 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -43.5 35.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.33 -40.71 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.916 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.01 -40.74 30.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.903 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.51 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.11 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.23 -39.43 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.44 -29.92 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.87 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.09 -51.66 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.05 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.34 -29.97 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.86 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 46.14 1.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 65.03 112.484 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -129.81 26.52 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 73.42 110.924 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 pp -90.1 -36.63 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 73.43 110.873 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.84 -62.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.867 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -15.6 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.852 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.53 -49.04 14.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.42 110.94 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.55 -10.08 59.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 72.4 110.973 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -36.41 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.943 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -131.77 -46.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.218 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.62 65.87 1.39 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.699 -0.762 . . . . 72.33 112.454 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.5 164.62 11.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 74.43 110.86 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.61 -19.03 19.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.34 110.95 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--O 1.246 0.904 0 O-C-N 120.585 -1.322 . . . . 71.15 112.375 178.287 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 121.42 0.456 . . . . 60.32 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -27.29 26.86 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 74.04 112.381 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.78 110.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 71.11 112.489 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -18.37 60.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 60.45 110.857 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.45 -175.4 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.9 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.97 -177.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.15 111.065 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.33 55.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 61.3 110.83 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.45 150.14 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.138 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.05 151.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 70.41 111.129 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tt -136.07 135.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 75.12 111.112 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.77 106.68 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.91 146.2 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 74.34 111.085 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.09 160.75 81.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 73.54 110.867 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 78.29 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.642 2.228 . . . . 70.15 112.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.5 104.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.455 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m 152.16 -29.99 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 N-CA-C 119.937 3.31 . . . . 74.03 119.937 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -72.67 -8.77 23.02 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 116.695 -1.736 . . . . 74.43 112.331 164.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 63.4 67.59 0.64 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.227 1.811 . . . . 73.5 111.8 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.089 0.956 . . . . 52.12 110.955 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -22.21 60.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 63.41 111.08 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.78 40.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.822 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 73.42 111.035 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -76.59 -27.84 55.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.402 . . . . 74.25 110.972 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.37 -45.66 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 65.23 111.086 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 tp -76.1 -52.2 10.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.72 -30.27 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.15 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.08 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.45 -24.08 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 72.2 110.898 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -111.7 4.68 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.863 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.92 30.91 30.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 65.43 112.496 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.21 167.85 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 74.22 111.1 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.07 146.56 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.939 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -150.84 146.55 26.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.878 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.41 122.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.18 157.7 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.834 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.8 mt -135.6 117.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.162 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.86 106.59 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.32 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 65.4 111.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.15 25.84 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.887 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.58 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 64.3 111.064 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.15 147.88 66.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 74.24 111.167 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -15.24 37.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 72.5 112.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.28 -40.9 58.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.17 -46.59 8.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 71.42 110.887 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -52.01 -46.41 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 72.23 110.804 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.72 92.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 73.41 111.125 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.76 -58.25 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 64.54 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.26 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.83 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.56 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.909 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.05 -41.99 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.853 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.91 10.12 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 75.23 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.43 152.65 21.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 74.05 110.879 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.41 118.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.41 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 54' ' ' ARG . 2.6 mpp_? 58.39 25.96 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 74.13 110.82 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 45.87 41.08 7.38 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.438 1.113 . . . . 71.42 108.352 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -57.63 175.41 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 72.33 111.188 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.36 157.05 1.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 75.3 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -177.67 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 75.44 112.359 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -109.69 149.44 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.03 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.33 147.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.122 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.935 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.56 108.01 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.182 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.08 -116.29 6.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 74.43 112.437 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 40.8 m -107.84 26.53 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 71.54 110.815 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -121.46 144.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 75.2 111.153 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -97.36 152.91 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 57.5 t -140.13 131.76 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.159 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -30.73 28.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.67 -0.776 . . . . 62.24 112.467 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.2 -134.76 7.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.816 -0.707 . . . . 74.2 112.483 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -65.83 -39.39 90.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 63.32 110.891 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.72 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 73.34 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.99 -43.44 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.822 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.38 -40.68 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -79.0 -40.7 30.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.925 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.58 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.147 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.18 -39.46 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.914 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.44 -29.93 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 71.24 110.848 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.07 -51.68 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.05 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.31 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 62.45 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 46.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 65.03 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -129.79 26.49 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 73.42 110.939 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 pp -90.04 -36.65 14.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.89 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.88 -62.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.849 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -15.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.836 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tt -78.57 -49.04 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.905 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.5 -10.12 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 72.4 110.967 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -36.43 10.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 21.1 p -131.76 -46.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 62.41 111.155 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.67 65.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.475 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.47 164.57 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 74.43 110.918 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.58 -20.52 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.958 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--O 1.243 0.734 0 O-C-N 120.082 -1.636 . . . . 71.15 110.465 178.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.398 0.444 . . . . 64.13 112.552 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 169.32 19.28 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.728 2.286 . . . . 74.24 112.331 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.42 -153.9 0.8 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.781 -0.723 . . . . 70.12 112.566 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.61 157.48 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 74.23 110.879 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.4 mtm -148.36 176.68 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 70.41 110.896 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.97 -176.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 75.25 111.126 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.18 149.44 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.22 132.87 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 74.42 111.115 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.85 146.26 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 75.35 111.142 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.09 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 72.54 111.078 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.04 102.14 14.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.74 165.92 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 75.14 111.166 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -69.78 160.71 78.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.761 . . . . 75.13 110.816 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -15.9 37.11 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 73.03 112.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.68 100.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.659 -0.782 . . . . 32.34 112.455 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.601 ' HA ' ' NH2' ' B' ' 13' ' ' ARG . 4.7 m -177.37 -72.6 0.0 OUTLIER Pre-proline 0 C--N 1.295 -1.765 0 N-CA-C 108.92 -0.77 . . . . 73.41 108.92 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -62.5 -177.87 0.33 Allowed 'Trans proline' 0 C--N 1.326 -0.646 0 C-N-CA 124.484 3.456 . . . . 73.44 112.353 -176.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -97.18 59.61 1.62 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.186 0.993 . . . . 74.4 110.314 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.3 p -96.8 30.96 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.053 -1.029 . . . . 72.25 110.945 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.56 -25.78 33.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.11 111.145 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -66.44 -60.53 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.859 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -40.17 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.105 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.67 -25.61 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.73 -58.2 7.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 71.14 111.149 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.72 -42.77 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.886 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.11 -24.12 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.842 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 54.04 111.066 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.1 -26.9 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 70.01 110.791 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -119.2 15.7 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.909 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.49 28.28 20.6 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 33.53 112.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 160.75 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 65.3 111.081 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -96.89 147.11 24.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -155.84 153.57 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.909 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.33 128.41 48.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.912 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -83.79 159.4 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.901 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.0 mt -139.65 107.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 74.14 111.217 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.87 105.48 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 73.52 110.957 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.36 178.44 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.4 111.107 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.35 26.25 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.44 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.0 -35.99 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.13 147.59 66.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 72.41 111.064 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -16.84 37.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 74.55 112.344 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.75 -42.17 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 70.43 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.89 -57.81 5.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 74.54 110.95 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.54 45.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.929 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.75 27.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 70.52 111.074 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.41 -29.74 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.46 -26.22 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 72.04 110.871 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.28 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -74.39 -40.75 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.15 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -53.11 132.63 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.797 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.93 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.472 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.58 157.69 28.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 73.43 110.855 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.43 26.01 10.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.696 0.76 . . . . 72.32 109.604 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.1 -43.12 35.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.108 -0.951 . . . . 74.41 111.123 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -139.57 157.3 70.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 74.14 110.932 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 179.58 3.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.733 2.288 . . . . 72.5 112.294 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -100.87 140.2 35.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 mm -112.94 143.19 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.114 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -129.38 142.47 50.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.4 pt -140.56 101.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.2 111.104 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.75 -114.75 5.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 62.22 112.479 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -109.01 28.15 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 71.04 110.905 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -124.68 144.76 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 71.44 111.074 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.81 143.54 36.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.29 144.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 62.14 111.081 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.11 -72.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 71.44 112.5 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.9 -147.99 8.38 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.754 -0.736 . . . . 72.31 112.473 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.2 -32.31 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 70.23 110.908 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.81 -48.55 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 73.33 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.11 -43.36 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tt -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.45 -40.81 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.896 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.56 85.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 74.52 111.19 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.74 -41.25 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 71.53 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.4 -41.34 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.907 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.21 -52.88 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.45 -25.29 66.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.45 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.72 54.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.823 -0.703 . . . . 73.21 112.558 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -129.93 21.48 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 75.25 110.945 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 pp -90.08 -35.77 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.908 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -53.99 -48.11 70.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 63.11 110.868 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -25.92 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 74.33 110.849 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.4 tt -68.06 -35.54 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 73.01 110.822 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.38 -11.8 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.931 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -27.92 16.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.864 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -150.24 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 75.51 111.228 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.58 85.89 1.77 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.403 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.89 140.51 52.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 75.34 110.863 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -30.72 67.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.867 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.247 0.936 0 CA-C-O 116.54 -1.695 . . . . 70.11 111.34 -168.664 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.361 0.423 . . . . 64.13 112.539 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.36 19.08 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.716 2.278 . . . . 74.24 112.292 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.52 -153.89 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 70.12 112.459 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.62 157.47 37.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 74.23 110.855 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 27.3 mtm -148.43 176.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 70.41 110.891 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 m -90.99 -176.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.444 . . . . 75.25 111.105 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.23 149.44 7.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.831 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.27 132.91 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 74.42 111.146 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.9 146.27 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 75.35 111.036 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.12 135.74 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.54 111.147 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.89 102.05 14.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.71 165.94 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 75.14 111.204 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.601 ' NH2' ' HA ' ' A' ' 16' ' ' CYS . 22.7 mtt85 -69.88 160.79 78.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 75.13 110.883 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.94 37.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 73.03 112.322 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.7 107.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 32.34 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t 164.59 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 C-N-CA 126.253 1.821 . . . . 73.41 113.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.16 -174.98 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 CA-C-N 118.456 0.484 . . . . 73.44 112.325 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -104.09 56.6 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 119.711 -1.868 . . . . 74.4 109.366 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 p -90.83 30.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.062 -0.972 . . . . 72.25 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.51 -25.83 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 73.11 111.156 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -66.44 -60.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.54 110.89 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.21 60.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.145 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.49 -25.72 57.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.53 110.946 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.68 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.151 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.75 -42.83 99.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.834 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.96 -24.18 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.3 110.927 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 54.04 111.098 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.04 -26.89 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 70.01 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -119.29 15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.51 28.26 20.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 33.53 112.507 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.79 160.75 13.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 65.3 111.036 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -96.92 147.04 24.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.872 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -155.74 153.62 30.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.853 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.39 128.41 48.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 75.22 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -83.79 159.41 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.95 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.3 mt -139.63 108.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.188 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.84 105.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.929 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.43 178.4 6.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 62.4 111.139 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.31 26.34 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.82 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.03 -35.99 3.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.123 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.09 147.52 66.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.534 0.683 . . . . 72.41 111.151 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -16.78 37.85 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 74.55 112.374 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -75.8 -42.21 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.43 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.91 -57.75 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 74.54 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -26.57 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.936 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -50.67 28.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 70.52 111.121 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.47 -29.76 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.851 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.35 -26.2 21.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 72.04 110.903 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.3 69.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.54 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -74.45 -40.69 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 74.42 110.823 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.08 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.841 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -53.03 132.63 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.926 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.89 -75.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 63.14 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.55 154.61 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 73.43 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -112.83 27.3 9.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.932 0.396 . . . . 72.32 110.287 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -42.97 26.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.891 0.376 . . . . 74.41 111.118 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -139.64 157.3 70.36 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.617 0.722 . . . . 74.14 110.87 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 72.5 112.406 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -100.89 140.29 35.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 65.32 110.897 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mm -112.95 143.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.53 111.131 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.34 142.48 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 2.4 pt -140.58 101.47 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 74.2 111.055 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.65 -114.62 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 62.22 112.515 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.7 m -109.09 27.99 8.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.917 0.389 . . . . 71.04 110.816 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -124.56 144.84 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 71.44 111.122 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.77 143.5 36.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.23 110.896 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.37 144.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 62.14 111.113 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.17 -72.55 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 71.44 112.461 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.95 -147.95 8.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 72.31 112.422 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.28 -32.12 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 70.23 110.823 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -55.07 -48.47 73.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.09 -43.35 15.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.893 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.69 -35.85 44.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.919 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.44 -40.81 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.879 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.51 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.182 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.73 -41.2 73.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.53 110.961 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -59.38 -41.43 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 73.45 110.878 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.2 -52.83 62.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.843 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.52 -25.27 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 72.45 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.78 54.75 1.38 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.793 -0.717 . . . . 73.21 112.58 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -130.03 21.53 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.729 0.3 . . . . 75.25 110.867 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 pp -90.12 -35.77 15.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -53.9 -48.22 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 63.11 110.83 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -25.93 42.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.838 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.95 -35.48 78.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.99 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.55 -11.62 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.885 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 -27.99 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.893 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -150.27 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 75.51 111.199 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.52 85.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.33 112.471 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.85 140.42 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 75.34 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 107.041 -1.466 . . . . 70.11 107.041 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 121.393 0.44 . . . . 64.4 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 -173.09 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 72.24 112.374 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.2 147.5 4.75 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.711 -0.757 . . . . 71.24 112.487 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 m -117.0 77.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 74.32 110.881 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm -172.01 175.37 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -93.05 -173.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 74.44 111.133 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.34 146.03 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.831 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -95.37 150.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.138 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.82 152.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.53 111.172 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 tt -132.49 136.33 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.141 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -98.89 99.59 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.95 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.01 175.86 1.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 72.02 111.184 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -61.79 160.82 25.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 74.12 110.842 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.64 -13.66 35.3 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 70.02 112.325 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.1 109.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.659 -0.781 . . . . 74.42 112.454 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.677 ' CA ' HH21 ' B' ' 13' ' ' ARG . 0.1 OUTLIER 174.0 -78.64 0.0 OUTLIER Pre-proline 0 N--CA 1.423 -1.785 0 N-CA-C 104.302 -2.481 . . . . 75.02 104.302 178.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -53.21 175.93 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.383 2.722 . . . . 73.22 112.35 -173.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -86.55 93.57 9.22 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.72 -1.863 . . . . 74.53 107.83 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -131.76 32.82 4.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.084 -1.871 . . . . 75.22 110.822 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -22.69 31.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.2 -49.69 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.81 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.1 111.133 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.04 -25.07 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 73.33 110.896 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.52 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 43.32 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.2 tp -53.08 -45.57 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.97 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.0 -23.09 52.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.33 110.898 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.9 -19.82 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 71.15 111.171 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.25 49.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.24 110.912 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -119.11 15.61 13.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.823 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.82 22.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 73.43 112.454 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.01 169.83 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 74.2 111.061 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 159.05 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.824 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.91 151.29 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -134.48 124.73 26.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 72.4 110.918 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.07 156.98 28.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.8 mt -137.23 109.98 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 70.52 111.082 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.17 113.79 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.819 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.57 -179.65 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 71.41 111.026 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.74 23.46 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.796 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.69 9.79 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 63.42 111.05 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.56 148.67 2.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 74.42 111.136 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -11.94 31.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 72.21 112.374 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.19 -55.31 29.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.913 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -51.63 -42.41 62.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.925 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.44 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.13 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.68 -60.35 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.903 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.8 -26.22 63.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.92 -26.1 66.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.931 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.05 -40.52 61.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.91 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.65 -50.2 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.85 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.47 48.57 14.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.876 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.09 174.67 39.05 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.731 -0.747 . . . . 72.1 112.434 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.52 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 72.52 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.44 44.83 0.62 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.971 0.909 . . . . 63.52 111.997 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p -80.3 -172.12 3.35 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 120.453 -1.405 . . . . 73.02 111.165 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.63 156.91 2.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.747 0.784 . . . . 74.43 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.02 19.9 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.634 2.222 . . . . 74.23 112.285 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.59 140.63 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.24 110.9 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mm -107.85 144.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.35 111.148 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.77 106.58 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.863 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.1 pt -116.92 125.82 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.24 111.061 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.89 39.61 62.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 74.31 112.463 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.33 21.78 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 62.32 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -102.54 146.28 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 74.53 111.234 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.92 129.47 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.894 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -130.82 131.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.103 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.2 36.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 74.23 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.67 -148.51 20.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 70.31 112.525 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -61.24 -37.4 82.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 73.45 110.862 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.83 -43.02 63.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.94 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.19 -45.2 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 74.05 110.964 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.82 -41.86 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.998 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.45 -42.86 70.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 75.23 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.13 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 71.12 111.062 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.7 -44.21 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 72.44 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.08 -39.64 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.834 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.93 -49.52 72.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 63.15 110.871 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -65.84 -26.82 67.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.888 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.42 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -127.8 23.99 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 73.02 110.75 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.02 -39.57 61.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.332 -0.394 . . . . 75.21 110.922 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.24 -51.11 63.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.3 110.952 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -27.83 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.819 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.03 -41.33 86.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.23 110.952 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.65 -19.87 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.949 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.11 -24.26 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 70.35 110.852 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.5 p -147.94 -53.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.53 111.126 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.68 110.46 3.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 62.51 112.529 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -134.46 127.68 31.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 74.2 110.94 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.38 -35.33 77.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 75.32 110.99 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.2 tt . . . . . 0 C--O 1.258 1.504 0 O-C-N 117.505 -3.247 . . . . 75.22 116.291 -173.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 CA-C-O 121.463 0.479 . . . . 64.4 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.76 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 72.24 112.288 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.24 147.45 4.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 71.24 112.499 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 40.9 m -116.91 77.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.8 0.334 . . . . 74.32 110.857 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm -172.03 175.34 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.878 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.05 -173.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.155 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.39 146.01 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 75.22 110.874 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.31 150.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 75.45 111.097 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.87 152.99 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.53 111.175 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 14.1 tt -132.45 136.28 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 72.21 111.197 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -98.9 99.63 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.936 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.0 175.84 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.677 HH21 ' CA ' ' A' ' 16' ' ' CYS . 34.0 mtt85 -61.8 160.83 25.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 74.12 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -13.67 35.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.285 . . . . 70.02 112.4 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.14 108.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.652 -0.785 . . . . 74.42 112.431 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.748 ' SG ' 'AG ' ' B' ' 101' ' ' ' AG' . 93.5 m 172.72 -58.19 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 O-C-N 119.536 -2.155 . . . . 75.02 109.081 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.79 176.16 7.94 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.676 1.584 . . . . 73.22 112.39 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -78.34 88.23 4.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.147 0.498 . . . . 74.53 111.214 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.92 32.91 3.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.828 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -22.6 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.113 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -63.23 -49.71 73.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.821 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.85 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.1 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.06 -24.98 66.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 73.33 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.55 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 43.32 111.135 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -53.04 -45.67 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.877 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.0 -23.04 52.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.911 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.94 -19.85 24.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 71.15 111.152 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -27.2 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.912 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -119.12 15.58 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.92 22.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 73.43 112.439 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 169.85 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 74.2 111.104 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.33 159.02 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -169.9 151.3 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -134.5 124.69 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 72.4 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.02 156.93 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -137.15 110.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 70.52 111.133 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.15 113.82 6.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.807 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.61 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.153 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.63 23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.836 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.66 9.8 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 63.42 111.077 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.57 148.67 2.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 74.42 111.152 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.95 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.289 . . . . 72.21 112.319 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.92 -55.82 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.17 -55.24 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 71.21 110.892 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -51.7 -42.43 62.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.904 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.4 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.117 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.72 -60.36 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.76 -26.3 63.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 74.23 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.85 -26.11 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.3 110.889 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.56 -50.33 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.846 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.54 48.55 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.54 39.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 72.1 112.462 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.39 -172.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 72.52 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -85.1 54.8 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.262 -1.524 . . . . 63.52 111.592 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -80.73 -172.05 3.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.653 -1.158 . . . . 73.02 111.184 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.7 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.732 0.777 . . . . 74.43 110.811 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 168.97 19.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 74.23 112.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.57 140.61 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.82 144.23 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 75.35 111.23 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.69 106.53 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 74.3 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 11.2 pt -116.88 125.85 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.24 111.086 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.85 39.67 62.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.31 112.442 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.34 21.72 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 62.32 110.832 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.7 t -102.5 146.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 74.53 111.137 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.97 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 59.0 t -130.77 131.42 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.175 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.09 36.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 74.23 112.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.63 -148.48 20.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.573 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 96.7 p -61.23 -37.46 83.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.367 . . . . 73.45 110.857 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.76 -43.09 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.874 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.25 -45.22 11.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.877 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.73 -41.9 61.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.931 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.48 -42.86 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.11 69.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 71.12 111.082 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.63 -44.28 94.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -61.04 -39.63 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.86 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.06 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 63.15 110.765 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -65.78 -26.83 67.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.956 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.48 2.01 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.83 -0.7 . . . . 64.11 112.503 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -127.78 23.87 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 73.02 110.798 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.06 -39.42 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.21 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.31 -51.22 63.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 73.3 110.897 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -27.84 65.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -41.39 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 72.23 110.972 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.63 -19.88 25.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.01 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.16 -24.13 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.874 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 68.6 p -148.0 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 75.53 111.168 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.71 110.48 3.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 62.51 112.535 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -134.47 127.57 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 74.2 110.933 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.36 -30.19 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 75.32 110.894 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 N--CA 1.489 1.486 0 O-C-N 116.82 -3.675 . . . . 75.22 117.111 179.304 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . 0.748 'AG ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.454 0.474 . . . . 74.12 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.61 2.206 . . . . 74.03 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.19 111.44 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 61.22 112.449 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m -98.74 26.69 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 75.44 110.803 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.3 mmm -73.18 169.5 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.87 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.19 -179.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 71.11 111.116 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -153.69 136.72 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.828 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.52 138.74 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.51 111.119 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.44 150.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 63.3 111.143 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 tt -137.63 136.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.105 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -90.86 116.03 28.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t 179.75 158.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 71.15 111.128 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.538 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.47 160.64 81.91 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 72.43 110.884 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 78.47 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.576 2.184 . . . . 74.34 112.422 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 101.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 52.42 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER 167.58 -48.98 0.0 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 118.319 2.711 . . . . 74.44 118.319 178.315 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD3' ' SG ' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -72.77 -168.81 0.43 Allowed 'Trans proline' 0 C--N 1.332 -0.313 0 C-N-CA 120.56 0.84 . . . . 73.22 112.35 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -90.57 63.42 5.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.39 1.091 . . . . 75.3 109.812 -174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -109.22 32.99 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.137 -0.938 . . . . 74.12 110.857 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.21 -23.04 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.22 111.061 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -77.81 -57.13 3.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.42 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 70.01 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -66.46 -36.64 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.839 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.66 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.21 111.123 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 tp -56.74 -48.04 78.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 72.43 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -55.94 -25.52 43.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -22.76 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.159 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.9 -28.04 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 70.44 110.946 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -111.93 14.25 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.97 28.01 23.49 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.62 -0.8 . . . . 73.34 112.512 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.13 156.27 39.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 60.42 111.137 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.93 146.63 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 73.34 110.865 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.04 152.94 30.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -128.16 128.82 45.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 71.52 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.76 160.09 24.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -136.89 123.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 74.11 111.094 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.01 105.13 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 65.32 110.803 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.24 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.37 23.54 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.86 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.56 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 73.43 111.054 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.13 154.6 68.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 74.43 111.131 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.651 2.234 . . . . 64.31 112.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.26 -44.56 83.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.876 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.06 -47.93 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.931 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.95 -30.22 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.796 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.2 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 75.42 111.064 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -64.75 -44.15 91.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 53.2 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.07 -26.1 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.3 110.854 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -63.24 -26.07 68.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 74.1 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.17 -40.94 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.55 10.16 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.962 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 t -52.96 112.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.32 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.99 -56.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 65.15 112.529 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -133.34 139.44 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 75.35 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' N ' ' HH ' ' B' ' 18' ' ' TYR . 39.5 m-20 -125.02 36.47 4.59 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 117.218 -3.427 . . . . 75.24 107.711 176.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -71.49 -51.06 25.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.24 -1.345 . . . . 74.13 111.133 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.21 157.62 55.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 62.53 110.923 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 175.82 7.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 75.32 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.32 124.49 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 64.41 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.1 mm -89.94 150.17 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.22 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -139.48 140.89 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.935 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 pt -147.06 115.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.089 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.43 -116.89 6.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 73.02 112.529 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.32 25.84 11.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 75.22 110.815 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.0 t -113.03 143.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 74.55 111.142 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -109.97 116.67 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.891 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.77 89.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.083 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.04 112.447 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.67 111.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 71.35 112.513 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -53.4 -30.57 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 71.22 110.818 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -74.39 -32.18 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.916 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -67.96 -36.81 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.807 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.95 -38.32 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.56 -34.77 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.3 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 62.04 111.057 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.3 -41.33 84.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.03 -40.01 94.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.893 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.39 -54.86 26.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.777 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.08 -26.26 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.848 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.01 48.35 2.09 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.819 -0.705 . . . . 72.1 112.466 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.45 25.81 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 73.41 110.982 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.09 -35.75 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.8 -49.67 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 72.42 110.894 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.88 -26.22 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.815 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.78 -47.56 74.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.972 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.83 60.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.822 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.12 -37.22 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.936 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.71 -41.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 75.34 111.168 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.45 111.27 3.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 71.24 112.521 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.73 147.01 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 75.34 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.98 -32.0 19.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 75.52 110.923 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.255 1.394 0 N-CA-C 104.039 -2.578 . . . . 75.3 104.039 -173.063 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 121.406 0.448 . . . . 74.12 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 74.03 112.305 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.1 111.34 1.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 61.22 112.55 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -98.68 26.71 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 75.44 110.806 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 20.2 mmm -73.17 169.4 17.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.08 -180.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 71.11 111.187 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.65 136.69 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 70.21 110.878 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -87.37 138.76 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.51 111.16 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.46 150.77 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 63.3 111.131 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 tt -137.67 136.76 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.145 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -90.9 116.1 28.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t 179.65 158.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 71.15 111.194 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.451 ' CZ ' ' CB ' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.28 160.63 82.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 72.43 110.807 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.47 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.581 2.188 . . . . 74.34 112.434 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.4 105.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.728 -0.749 . . . . 52.42 112.515 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.323 7.7 p 156.37 -37.59 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 C-N-CA 129.367 3.067 . . . . 74.44 117.133 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.87 -174.11 0.87 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 116.69 -1.74 . . . . 73.22 112.353 168.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.431 ' HH ' ' N ' ' A' ' 55' ' ' ASN . 53.9 m-85 -79.01 66.84 4.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.234 1.016 . . . . 75.3 111.705 177.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.4 t -114.57 32.95 5.62 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.484 -0.76 . . . . 74.12 110.856 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.08 -23.06 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.22 111.107 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -77.88 -56.99 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.943 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -46.39 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 70.01 111.103 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -66.41 -36.61 83.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 72.45 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.71 -59.79 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.067 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 tp -56.81 -47.89 79.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.918 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -55.96 -25.54 44.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.928 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.77 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.2 111.157 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.86 -28.1 58.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.91 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -111.88 14.2 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.04 110.828 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 28.13 23.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 73.34 112.527 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.15 156.26 39.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 60.42 111.168 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -93.93 146.58 23.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.814 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.05 153.02 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.857 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -128.1 128.88 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 71.52 110.92 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.83 160.07 24.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 75.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.8 mt -136.93 123.96 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 74.11 111.117 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.96 105.09 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 65.32 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.26 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.067 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.39 23.46 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.9 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.05 -35.48 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.071 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.09 154.6 68.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 74.43 111.144 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -8.14 22.85 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.772 2.314 . . . . 64.31 112.355 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.3 -44.48 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.17 -47.85 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.937 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -52.07 -30.18 24.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.776 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 75.42 111.17 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.78 -44.26 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.2 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.01 -26.06 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 73.3 110.938 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -63.26 -26.09 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 74.1 110.982 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.11 -40.92 19.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 63.32 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.56 10.18 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -52.96 112.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.834 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.02 -56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 65.15 112.463 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -133.27 141.01 47.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.367 . . . . 75.35 110.864 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -113.21 16.1 19.22 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 125.135 1.522 . . . . 75.24 111.468 -174.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -77.22 -51.0 11.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.168 -172.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.22 157.7 55.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 62.53 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.88 175.79 7.73 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.716 2.277 . . . . 75.32 112.272 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.25 124.48 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.95 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.9 150.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 74.34 111.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -139.5 140.91 37.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 73.52 110.999 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 pt -147.14 115.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 74.14 111.114 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.35 -116.85 6.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 73.02 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.28 25.87 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 75.22 110.8 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.94 143.54 22.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.55 111.166 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -110.12 116.64 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.72 89.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.492 . . . . 74.44 111.093 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.71 81.63 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 73.04 112.448 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.68 111.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.85 -0.69 . . . . 71.35 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 62.0 p -53.35 -30.56 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 71.22 110.825 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.42 -32.14 62.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.96 -36.87 80.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 74.11 110.751 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.99 -38.31 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 75.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.54 -34.75 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.25 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 62.04 111.111 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.38 -41.29 84.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.892 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.01 -40.07 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.5 110.924 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.31 -54.88 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.843 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.13 -26.12 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.854 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.91 48.37 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.802 -0.713 . . . . 72.1 112.534 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.52 25.86 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 73.41 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.12 -35.79 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.73 -49.74 61.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.86 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.82 -26.28 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.815 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.68 -47.68 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.7 60.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.906 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -37.26 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.864 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.69 -41.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 111.12 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.44 111.18 3.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 71.24 112.497 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 75.34 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.98 -31.76 19.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 75.52 110.948 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.255 1.372 0 N-CA-C 105.189 -2.152 . . . . 75.3 105.189 -171.527 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.416 0.453 . . . . 61.24 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.648 2.232 . . . . 73.32 112.373 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.89 124.77 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.769 -0.729 . . . . 73.22 112.431 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -161.8 129.79 4.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.937 0.399 . . . . 65.23 110.813 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.4 mtm -101.54 -171.66 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 74.32 110.877 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -62.87 142.27 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 73.24 111.135 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -128.77 147.56 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.825 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.75 130.99 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.123 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.62 151.03 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 70.41 111.121 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.66 137.44 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 75.34 111.141 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.72 107.58 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.935 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.68 160.57 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.14 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -78.92 161.94 66.75 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 107.53 -1.285 . . . . 74.1 107.53 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.01 -8.96 25.03 Favored 'Trans proline' 0 C--N 1.355 0.899 1 C-N-CA 128.481 6.121 . . . . 61.14 112.412 -176.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.58 105.63 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.656 -0.783 . . . . 73.54 112.528 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 159.49 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.77 0 C-N-CA 129.087 2.955 . . . . 63.02 115.946 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.3 178.26 4.46 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 116.785 -1.677 . . . . 75.42 112.383 172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -89.73 63.19 6.06 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.947 -1.096 . . . . 64.33 112.159 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -91.63 36.65 0.95 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.055 -1.028 . . . . 64.24 110.975 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.0 -24.63 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 72.04 111.067 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.52 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.45 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.59 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 72.45 111.071 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.76 -24.68 41.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 75.54 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.68 -53.82 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 60.13 111.185 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -70.37 -48.18 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.923 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.79 -42.18 62.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 52.55 110.923 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.09 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.15 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.42 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.923 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -107.01 -16.01 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 74.51 110.843 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.06 79.04 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.748 -0.739 . . . . 72.13 112.467 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.25 156.69 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 70.2 111.132 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -93.94 125.22 38.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.913 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.33 152.6 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 65.43 110.959 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -127.58 128.43 45.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.94 156.83 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.1 mt -139.04 139.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 74.12 111.203 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.96 95.27 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.8 180.0 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.986 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.3 21.24 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.854 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.39 -4.6 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.122 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.03 152.14 1.85 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 72.54 111.209 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -8.12 22.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 74.42 112.38 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -47.35 76.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.82 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.17 -47.03 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 75.5 110.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.45 -30.07 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 73.15 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.17 -56.08 26.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.043 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.75 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.904 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.1 ttm -63.25 -25.43 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 75.52 110.858 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.59 -25.7 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 71.35 110.903 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.61 -54.06 46.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.892 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.46 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 p 58.73 26.35 14.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.87 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.33 -142.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 74.34 112.441 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.25 158.09 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 72.13 110.818 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.39 20.97 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.539 0.685 . . . . 71.21 110.521 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 p -69.33 -34.83 75.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.433 -0.792 . . . . 73.12 111.159 -177.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -128.86 157.38 75.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 74.14 110.983 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.0 29.0 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 72.14 112.296 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -90.2 123.87 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.63 144.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.31 111.076 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 147.01 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 mt -145.39 118.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.122 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.38 -99.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 70.33 112.487 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.89 32.26 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 71.01 110.761 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.45 150.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.15 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.7 128.47 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -131.53 124.32 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 63.21 111.129 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.6 -83.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 55.43 112.487 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.58 12.41 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.725 -0.75 . . . . 70.34 112.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -52.36 -30.17 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 43.23 110.932 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.02 -41.47 62.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.32 110.801 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.34 -46.41 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.07 -40.43 61.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.942 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -70.92 -40.9 71.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.77 69.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.54 111.034 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.07 -41.8 88.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.952 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -57.53 -30.2 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.844 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -50.01 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 62.34 110.919 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.24 -26.76 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.895 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.07 46.17 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.738 . . . . 74.43 112.527 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.88 28.85 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 75.53 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.85 -37.95 16.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.925 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -54.74 -57.24 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -68.54 -20.43 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.03 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tt -73.72 -49.09 27.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 72.52 110.911 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.93 -16.33 60.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.871 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -40.22 11.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.986 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.63 -46.86 1.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.098 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.01 108.89 2.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 75.34 112.434 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -142.42 149.47 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 73.44 110.905 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.51 -22.98 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.954 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.246 0.9 0 C-N-CA 122.703 0.401 . . . . 74.22 110.235 -171.075 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 121.406 0.448 . . . . 61.24 112.458 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.575 2.183 . . . . 73.32 112.484 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.82 124.68 6.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 73.22 112.486 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.7 m -161.73 129.76 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 65.23 110.906 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 25.4 mtm -101.59 -171.68 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.848 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -62.96 142.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 73.24 111.141 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -128.76 147.55 50.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.84 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 18.6 t -87.77 131.0 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.132 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.56 150.99 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 70.41 111.19 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.61 137.4 35.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 75.34 111.166 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.81 107.61 19.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.892 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.67 164.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.135 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.55 159.7 60.68 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 106.791 -1.559 . . . . 74.1 106.791 -175.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.4 -8.73 22.99 Favored 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 127.634 5.556 . . . . 61.14 112.369 -175.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.54 106.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 73.54 112.475 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 t 159.67 -49.58 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 C-N-CA 127.616 2.366 . . . . 63.02 116.008 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.13 179.07 2.08 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 116.54 -1.84 . . . . 75.42 112.371 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.39 76.75 5.16 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.186 -1.413 . . . . 64.33 107.186 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.06 36.7 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.601 . . . . 64.24 110.934 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.96 -24.6 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.04 111.146 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.54 -53.23 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.861 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.64 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 72.45 111.15 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.75 -24.73 41.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.64 -53.77 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 60.13 111.153 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -70.44 -48.23 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 mt -51.83 -42.2 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 52.55 110.844 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.64 -33.94 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 74.11 111.179 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -25.48 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -106.95 -16.09 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.836 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.32 11.02 79.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 72.13 112.486 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.21 156.72 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 70.2 111.069 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -94.01 125.23 38.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.868 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.32 152.65 48.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 65.43 110.892 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.6 128.47 45.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.93 156.78 19.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.2 mt -139.02 139.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.166 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.98 95.24 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.858 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.73 179.97 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.54 111.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.28 21.35 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.848 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.44 -4.58 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.22 111.094 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.0 152.18 1.87 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 72.54 111.175 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -8.26 23.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 74.42 112.389 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -47.53 76.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.804 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.13 -47.09 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.5 110.906 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.43 -30.01 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 -56.02 27.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 73.43 111.057 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.81 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.19 -25.45 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 75.52 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.57 -25.7 67.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.949 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.56 -54.2 44.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.867 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.43 -59.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.14 110.89 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.2 p 58.62 26.48 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.835 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.4 -142.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.663 -0.779 . . . . 74.34 112.384 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -56.15 158.75 3.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 72.13 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -125.17 19.26 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.321 -0.854 . . . . 71.21 111.5 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 4.5 p -68.91 -34.71 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.953 -0.467 . . . . 73.12 111.155 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -129.0 157.39 75.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 74.14 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 166.08 28.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.273 . . . . 72.14 112.33 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -90.29 123.83 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 65.42 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.9 mm -95.63 144.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.088 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 146.94 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 9.1 mt -145.26 118.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.242 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.29 -99.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 70.33 112.543 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.83 32.2 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 71.01 110.759 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.0 p -116.5 150.02 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 75.42 111.083 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.8 128.41 45.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.768 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -131.44 124.34 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.58 -83.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 55.43 112.533 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.57 12.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.442 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -52.37 -30.27 28.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 43.23 110.891 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.96 -41.42 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 72.32 110.801 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.43 -46.41 10.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 65.25 110.835 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -52.11 -40.44 61.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.927 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -70.85 -40.96 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.912 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.66 69.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 75.54 111.09 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.11 -41.83 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.937 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.54 -30.12 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.864 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.49 -50.16 13.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 62.34 110.821 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -62.15 -26.8 68.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.54 110.891 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.01 46.25 2.9 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.7 -0.762 . . . . 74.43 112.512 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.92 28.85 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 75.53 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.8 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 75.12 110.959 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.77 -57.27 12.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.91 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -68.52 -20.45 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 63.03 110.803 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tt -73.71 -49.05 27.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.871 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.01 -16.24 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.871 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.2 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.912 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -128.56 -46.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.423 . . . . 71.23 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.94 108.93 2.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.481 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -142.47 149.53 39.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 73.44 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -23.61 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.983 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--O 1.248 0.977 0 N-CA-C 106.015 -1.846 . . . . 74.22 106.015 -172.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.437 0.465 . . . . 71.23 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 126.66 13.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 73.3 112.372 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.62 155.22 16.4 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.812 -0.709 . . . . 70.41 112.516 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 m -113.66 74.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 73.4 110.862 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 17.4 ptm -173.06 149.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.66 -175.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 74.33 111.087 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.09 152.09 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 t -90.2 136.17 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.089 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.44 136.73 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 74.51 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 tt -124.24 135.71 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 75.44 111.15 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.83 101.07 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.59 148.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 73.11 111.122 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.6 159.95 1.53 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 74.44 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 79.93 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.701 2.268 . . . . 65.33 112.37 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.83 100.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 53.21 112.505 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 m 179.94 -55.96 0.0 OUTLIER Pre-proline 0 CA--C 1.586 2.358 0 O-C-N 116.961 -3.67 . . . . 73.0 105.823 -159.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 16' ' ' CYS . 53.1 Cg_endo -95.63 -172.66 0.24 Allowed 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 132.933 9.089 . . . . 62.13 112.393 -177.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -79.82 54.07 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.553 0.692 . . . . 75.54 111.959 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.99 29.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.06 -1.025 . . . . 75.03 110.881 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.59 -26.09 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.09 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -62.43 -58.74 6.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.56 73.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 54.42 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -60.56 -44.71 95.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.27 9.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.13 -44.8 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.959 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.71 -28.47 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 71.25 110.928 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.78 -23.36 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 74.35 111.17 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.41 -25.08 59.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -112.86 11.3 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.819 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.02 50.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 75.12 112.45 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.43 155.23 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 73.11 111.066 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.78 122.11 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.889 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -125.26 153.81 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.893 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.72 119.04 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.3 154.95 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 64.3 110.79 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.9 143.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.096 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.29 89.96 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 64.42 110.804 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.86 178.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.53 111.111 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 t 63.09 17.02 9.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.865 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.54 -10.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.7 154.4 11.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 72.02 111.172 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.654 2.236 . . . . 74.41 112.285 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.1 -49.18 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 71.41 110.967 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -57.26 13.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -25.71 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.55 110.889 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.6 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.41 111.06 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.42 -36.0 71.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 74.02 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.8 mtm -78.94 -27.57 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.15 110.905 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.51 -26.85 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.911 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.11 -43.2 63.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -107.02 -59.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.5 110.926 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.63 50.99 10.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.945 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -153.74 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.518 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -57.72 176.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 72.24 110.791 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -129.17 27.74 5.34 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.222 -1.549 . . . . 75.22 110.372 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.71 -45.62 35.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 61.1 111.148 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.86 157.39 71.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.658 0.742 . . . . 72.04 110.905 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 174.66 9.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 61.2 112.35 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.98 128.16 45.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mm -101.57 144.9 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.146 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.06 124.31 21.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.04 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.65 99.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 64.31 111.116 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.97 52.44 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.5 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.3 m 59.33 21.27 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 74.2 110.789 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.71 143.56 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.064 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.56 120.43 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 72.51 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.8 128.7 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.14 111.232 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.54 -43.82 36.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.719 . . . . 44.34 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.01 -158.23 27.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.21 112.503 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.86 -34.54 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 65.15 110.889 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.91 -46.97 64.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.4 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.7 -45.18 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 70.54 110.81 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.51 -42.19 61.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.92 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -67.08 -42.28 84.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.42 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 71.24 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -56.11 -46.07 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.902 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.42 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 64.15 110.876 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.87 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 74.15 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.97 -30.1 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.29 51.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 72.2 112.515 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -129.96 23.93 5.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.849 0.357 . . . . 74.15 110.965 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.4 -32.46 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.959 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.09 -49.72 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.786 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.95 -25.97 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.825 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -45.23 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.982 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 -9.96 59.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 70.33 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -33.74 14.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 75.45 110.889 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.09 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 65.11 111.162 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.7 106.85 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 75.44 112.449 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.28 131.91 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 61.34 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.85 -33.65 40.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 74.35 110.886 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.477 0.875 0 O-C-N 118.694 -2.504 . . . . 74.35 109.385 -173.839 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 121.411 0.451 . . . . 71.23 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 126.66 13.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 73.3 112.365 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.72 155.2 16.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 70.41 112.483 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 62.3 m -113.59 74.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 73.4 110.874 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 17.4 ptm -173.13 149.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 73.41 110.868 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.56 -175.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 74.33 111.123 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.06 152.07 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.14 110.862 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.26 136.2 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.3 111.097 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.42 136.74 54.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.51 111.079 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 tt -124.27 135.67 62.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 75.44 111.157 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -92.84 101.16 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.62 148.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -52.66 159.91 1.57 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 74.44 110.858 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 79.81 0.91 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.748 2.299 . . . . 65.33 112.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 53.21 112.506 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m 158.23 -46.11 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 129.081 2.952 . . . . 73.0 115.515 172.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.21 -169.03 0.18 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 116.142 -2.105 . . . . 62.13 112.34 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -91.06 59.96 4.18 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 120.687 -1.258 . . . . 75.54 108.269 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.87 29.82 7.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.834 -1.075 . . . . 75.03 110.9 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.53 -26.12 28.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 73.21 111.187 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 65.2 mmt-85 -62.37 -58.84 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.847 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -47.57 73.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.037 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -60.62 -44.75 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 -57.19 10.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 70.43 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.24 -44.72 84.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 74.42 110.96 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.74 -28.44 55.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.917 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 -23.36 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.11 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.43 -25.12 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 73.53 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -112.83 11.24 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.863 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.05 50.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 75.12 112.494 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.49 155.29 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.676 0.274 . . . . 73.11 111.124 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.87 122.11 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -125.26 153.72 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.897 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.66 119.04 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.877 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -83.3 154.97 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 64.3 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.9 143.53 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 74.42 111.149 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.36 90.03 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 178.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 72.53 111.072 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t 63.16 16.99 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.868 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.56 -10.17 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.42 111.173 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.71 154.34 11.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 72.02 111.111 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.95 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 74.41 112.368 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.24 -49.13 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.895 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -57.32 13.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -25.81 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.854 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.59 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 71.41 111.011 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.43 -35.92 71.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -79.0 -27.6 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 65.15 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.43 -26.92 68.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.99 -43.25 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.955 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -107.0 -60.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 75.5 110.896 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.68 51.07 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.39 -153.79 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 72.11 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -57.65 174.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.802 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -126.22 26.0 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.633 -1.292 . . . . 75.22 110.49 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.77 -45.62 35.28 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.047 -0.408 . . . . 61.1 111.164 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.8 157.44 71.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.71 0.767 . . . . 72.04 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.84 174.64 9.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.709 2.273 . . . . 61.2 112.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.9 128.16 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.7 mm -101.55 144.96 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 72.41 111.12 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.17 124.33 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.62 99.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 64.31 111.125 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.99 52.47 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 71.45 112.454 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m 59.27 21.29 9.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.953 0.406 . . . . 74.2 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.71 143.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 72.44 111.068 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.57 120.48 29.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.833 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.91 128.74 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.119 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.53 -43.8 36.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 44.34 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.02 -158.23 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 73.21 112.487 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.95 -34.47 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.15 110.891 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.92 -47.03 64.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 74.4 110.813 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -83.73 -45.06 13.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 70.54 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.66 -42.02 61.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.24 -42.17 84.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.932 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.43 74.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 71.24 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.951 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.39 -36.75 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 64.15 110.865 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.82 -53.5 56.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 74.15 110.847 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.0 -30.01 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.912 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.24 51.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 72.2 112.462 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -130.02 23.95 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 74.15 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -83.33 -32.41 26.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.969 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.11 -49.7 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.767 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.87 -26.0 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.45 -45.35 84.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.963 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.86 -10.01 59.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 70.33 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -33.75 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.876 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.08 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.65 106.9 2.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.827 -0.701 . . . . 75.44 112.43 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.2 131.93 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 61.34 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.85 -27.39 40.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 74.35 110.865 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.48 1.064 0 O-C-N 118.471 -2.643 . . . . 74.35 112.188 166.126 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 121.5 0.5 . . . . 63.52 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.41 42.18 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.628 2.219 . . . . 74.44 112.319 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.55 163.04 23.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 73.23 112.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -107.3 111.17 23.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.935 0.398 . . . . 73.33 110.839 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.1 ptm -161.87 170.27 19.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 73.22 110.863 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m -118.4 -174.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 71.54 111.101 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.97 137.49 51.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.854 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.53 147.62 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.43 111.127 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.95 150.12 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 74.05 111.098 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.01 135.84 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 72.12 111.224 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -93.27 108.2 19.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.901 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.78 166.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 74.11 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.21 159.51 84.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 74.32 110.91 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 79.1 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 75.01 112.385 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.52 109.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 63.45 112.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 156.01 -42.27 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.945 0 C-N-CA 128.878 2.871 . . . . 71.33 116.986 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.95 -175.23 0.74 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 115.872 -2.285 . . . . 74.44 112.309 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.15 56.67 3.84 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.848 -1.158 . . . . 72.31 110.874 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.86 -7.33 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.146 -0.971 . . . . 72.03 110.856 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.46 -30.05 18.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.54 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -61.25 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 75.54 110.947 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.23 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.157 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.52 -46.44 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.79 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.126 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -51.99 -54.05 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.03 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 mt -55.23 -38.0 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.869 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.85 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 45.31 111.136 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -46.4 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.895 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -81.96 0.28 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.74 15.95 49.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.1 112.475 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.84 168.9 7.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.77 0.319 . . . . 63.31 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.08 140.53 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.918 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -143.87 157.69 44.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.871 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.68 129.37 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 74.35 110.908 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.7 153.38 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.9 mt -129.45 113.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 75.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.18 105.82 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.858 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.31 178.04 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.69 28.93 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.899 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.54 -39.33 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 71.22 111.013 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.76 147.45 62.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 75.53 111.131 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.98 37.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 72.25 112.374 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.08 -27.37 42.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 mt -82.06 -59.55 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.921 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.65 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 74.35 110.81 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.29 95.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 73.21 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.74 -50.99 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.869 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -68.98 -25.97 64.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.022 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.93 -26.0 64.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.966 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.07 -57.99 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.825 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -28.41 17.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.795 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p 51.94 37.91 22.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.61 174.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 73.23 112.417 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -53.68 174.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 74.43 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -113.47 17.19 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.572 -1.194 . . . . 73.44 111.273 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -84.91 -38.85 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.93 -0.481 . . . . 72.34 111.257 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.15 157.3 77.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.667 0.746 . . . . 75.5 110.799 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.25 4.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 72.2 112.381 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.79 132.68 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 65.42 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -102.93 144.24 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.63 127.88 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.841 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.3 pt -130.66 108.25 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.142 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.31 -118.58 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 63.34 112.511 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.09 31.55 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 72.32 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.7 t -127.8 131.61 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.142 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -85.75 151.34 23.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.1 t -141.36 131.71 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.17 -56.29 15.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 64.23 112.495 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.68 -138.45 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 73.01 112.494 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 p -71.03 -40.29 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 51.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.88 -41.08 61.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 73.55 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.61 -44.19 10.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.833 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.73 -42.42 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.45 -34.34 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.972 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.3 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 70.43 111.129 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.91 92.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.907 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.38 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.874 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.14 -40.8 26.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.13 -30.11 70.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 74.02 110.903 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.29 41.53 1.9 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 74.24 112.51 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -129.98 30.2 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 75.22 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.53 -40.42 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.36 -35.35 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.9 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.87 -21.24 23.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.861 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.56 -44.17 35.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.903 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.77 -18.52 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 72.02 110.92 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.92 -27.22 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 74.04 110.877 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.3 p -146.11 -49.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.54 111.121 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.8 110.18 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 72.54 112.514 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -142.65 160.49 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 74.14 110.944 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 pp -100.72 -13.97 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.939 1.088 . . . . 72.35 113.939 -170.635 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 121.444 0.469 . . . . 63.52 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.32 42.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.688 2.259 . . . . 74.44 112.406 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.49 163.01 23.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 73.23 112.465 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -107.31 111.19 23.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.95 0.405 . . . . 73.33 110.887 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 14.1 ptm -161.85 170.18 19.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 73.22 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m -118.31 -174.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.116 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.96 137.35 51.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.48 147.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.98 150.21 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 74.05 111.073 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.09 135.74 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 72.12 111.182 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -93.2 108.08 19.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.67 166.57 3.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 74.11 111.112 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.2 159.61 83.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 74.32 110.852 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 79.1 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 75.01 112.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.61 108.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 63.45 112.441 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m 160.19 -49.49 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 C-N-CA 128.744 2.818 . . . . 71.33 114.458 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.49 -173.59 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 116.772 -1.685 . . . . 74.44 112.319 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.39 56.77 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.674 0.75 . . . . 72.31 111.52 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.5 p -107.36 -7.26 16.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 72.03 110.855 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.12 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.142 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -61.37 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -33.11 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.42 111.147 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.6 -46.41 82.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.891 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.48 -58.81 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.03 -53.93 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 74.03 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.2 mt -55.27 -38.06 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.903 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.96 82.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 45.31 111.069 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -46.4 88.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.942 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -81.96 0.37 40.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.861 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.67 16.01 49.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 72.1 112.494 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 168.87 7.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.719 0.295 . . . . 63.31 111.06 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.14 140.68 40.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.846 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -143.9 157.77 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.858 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.74 129.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 74.35 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.79 153.37 21.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.786 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -129.39 113.72 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 75.0 111.177 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.1 105.83 1.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.44 178.01 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 71.11 111.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.77 28.84 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.853 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 -39.24 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 71.22 111.088 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.78 147.42 62.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 75.53 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.89 36.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 72.25 112.377 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.18 -27.34 42.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -82.11 -59.56 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -30.63 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 74.35 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.24 95.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.507 . . . . 73.21 111.126 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -61.9 -50.86 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 72.21 110.875 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -69.05 -25.93 64.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.961 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -68.95 -25.98 64.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.933 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.16 -57.95 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.1 110.781 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -28.44 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p 51.98 37.76 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.838 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.53 174.53 0.38 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 73.23 112.46 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -53.6 171.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 74.43 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -109.97 16.43 21.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.37 0.605 . . . . 73.44 112.164 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.8 p -78.56 -38.92 39.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.721 -0.612 . . . . 72.34 111.163 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.09 157.25 77.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.601 0.715 . . . . 75.5 110.84 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.2 4.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.626 2.217 . . . . 72.2 112.343 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.77 132.7 48.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 65.42 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mm -102.98 144.35 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.34 111.147 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.62 127.9 33.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.853 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.3 pt -130.7 108.2 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.118 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 -118.48 8.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 63.34 112.553 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.15 31.53 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.32 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.82 131.68 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.131 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -85.71 151.25 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 74.14 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 t -141.32 131.82 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.15 -56.27 15.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.23 112.611 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.67 -138.44 4.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 73.01 112.533 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.7 p -71.19 -40.19 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 51.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.9 -41.09 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.55 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -44.3 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.821 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.858 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.5 -34.32 60.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 73.42 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 70.43 111.029 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.77 93.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 73.41 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.43 -31.14 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.85 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.11 -40.77 26.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.24 -30.02 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.85 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.51 1.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 74.24 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -130.05 30.24 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 75.22 110.939 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.5 -40.41 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.974 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.34 -35.43 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.904 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.73 -21.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.2 110.848 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.65 -44.07 35.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.79 -18.52 47.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.917 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.87 -27.38 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.04 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 39.0 p -146.04 -49.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.54 111.118 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.82 110.27 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.827 -0.701 . . . . 72.54 112.483 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -142.71 160.47 40.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.761 0.315 . . . . 74.14 110.954 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 pp -100.73 -19.28 16.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 75.21 110.875 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.244 0.776 0 CA-C-O 117.126 -1.416 . . . . 72.35 110.368 -172.618 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.45 0.472 . . . . 63.43 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.35 27.82 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.599 2.199 . . . . 74.42 112.398 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.44 126.66 43.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 64.42 112.539 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.6 m -90.3 -177.69 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 73.33 110.852 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptm -152.33 174.01 14.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.895 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -97.21 163.49 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.408 . . . . 73.54 111.097 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -147.93 147.89 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.21 110.868 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.5 t -99.01 147.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.5 111.13 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.33 152.22 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.128 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 tt -132.92 135.97 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.35 111.108 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.36 104.86 16.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.898 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.71 154.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 62.4 111.122 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 160.43 16.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 75.43 110.842 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.93 -12.6 32.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 74.42 112.268 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 171.8 106.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 72.2 112.499 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.86 ' HA ' HH21 ' B' ' 13' ' ' ARG . 1.5 m 168.26 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.314 -0.975 0 N-CA-C 117.873 2.546 . . . . 74.1 117.873 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.5 -173.39 0.97 Allowed 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 121.172 1.248 . . . . 74.1 112.315 173.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.94 61.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 120.706 -1.246 . . . . 74.24 112.03 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.33 34.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.331 -0.856 . . . . 73.44 110.932 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.99 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 74.45 111.157 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -64.95 -63.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.87 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.02 -40.13 60.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 74.43 111.17 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -71.72 -29.72 64.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 73.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.71 -56.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.34 111.072 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -53.54 56.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.911 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.97 -25.32 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.935 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.84 -23.46 41.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 53.5 111.093 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -76.3 -33.98 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.842 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -112.43 12.21 20.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.842 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.646 -0.788 . . . . 63.13 112.537 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.75 166.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 74.33 111.1 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.05 118.57 37.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -130.64 159.05 38.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.29 125.19 25.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 155.46 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.2 mt -132.33 121.4 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.026 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.8 103.56 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 75.05 110.795 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.75 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.099 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.25 27.4 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.71 -34.01 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 74.12 111.022 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.84 147.69 65.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 71.34 111.138 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 -15.96 37.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 64.54 112.338 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.01 -26.2 39.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 64.45 110.827 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -89.77 -52.61 4.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.251 -0.431 . . . . 74.23 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -56.28 -28.63 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 74.53 110.917 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.86 -21.48 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.11 111.157 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.32 -35.05 68.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.874 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.28 -19.94 32.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.817 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.38 -24.1 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 54.32 110.89 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -83.04 -43.46 16.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -89.79 10.01 25.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 74.14 110.794 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.82 129.39 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 64.51 110.906 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.14 -102.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 75.12 112.546 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.817 ' NH1' HH11 ' B' ' 54' ' ' ARG . 10.3 mmt180 -83.1 -31.95 27.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.337 . . . . 74.23 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.52 35.81 20.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.609 1.164 . . . . 70.31 110.395 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 p -78.3 -44.55 25.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.452 0.701 . . . . 75.32 111.079 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -127.0 157.47 71.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 72.33 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.87 -179.73 3.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.642 2.228 . . . . 71.2 112.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.31 152.06 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.25 110.939 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -116.77 144.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 72.43 111.198 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -132.22 105.97 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 75.4 110.916 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.17 125.98 72.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 72.45 111.182 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.39 39.63 59.76 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 73.23 112.605 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 m 63.74 25.18 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 72.15 110.794 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.2 t -106.27 148.41 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -84.99 129.39 34.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.886 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.82 132.78 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 72.21 111.153 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.91 -29.82 14.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 74.03 112.54 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.58 -157.64 21.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.454 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.78 -35.82 45.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 64.33 110.896 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.08 -50.61 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.874 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.56 -44.44 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.932 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.43 -42.36 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.895 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.17 -41.78 89.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.87 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.83 -40.1 72.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.55 111.047 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.3 mt -61.45 -39.63 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.935 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.5 -32.84 70.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.841 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -55.73 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.912 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.1 -29.84 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.01 111.006 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.82 48.44 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 74.1 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -127.84 25.34 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 74.54 110.907 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.49 -36.38 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.948 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.46 -51.72 67.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 62.42 110.887 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.81 -25.48 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.832 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -51.04 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 74.03 110.954 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.9 -9.75 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 74.25 110.988 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -25.46 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 73.33 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.9 p -147.07 -46.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 53.32 111.095 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.16 104.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 73.33 112.538 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.52 172.52 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.816 0.341 . . . . 72.54 110.919 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 -24.82 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.883 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.9 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.806 -1.568 . . . . 64.32 111.587 -166.815 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 121.412 0.451 . . . . 63.43 112.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.44 27.52 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.637 2.224 . . . . 74.42 112.372 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 126.6 42.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.776 -0.726 . . . . 64.42 112.489 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -90.2 -177.73 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 73.33 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptm -152.34 173.99 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.878 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -97.13 163.52 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 73.54 111.132 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.96 147.88 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 72.21 110.901 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -99.03 147.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 75.5 111.107 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.35 152.24 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.52 111.118 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 tt -132.94 135.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 71.35 111.117 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.33 104.77 16.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.84 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.65 154.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 62.4 111.121 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.86 HH21 ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -60.13 160.45 16.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.43 110.823 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -12.71 33.31 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.711 2.274 . . . . 74.42 112.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 171.81 110.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 72.2 112.455 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.304 14.7 t 135.42 -0.83 0.0 OUTLIER Pre-proline 0 CA--C 1.573 1.843 1 C-N-CA 132.76 4.424 . . . . 74.1 121.177 153.902 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.98 -173.24 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 114.632 -3.112 . . . . 74.1 112.34 148.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.2 65.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.762 0.792 . . . . 74.24 111.723 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 p -93.98 34.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.291 -0.881 . . . . 73.44 110.834 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.02 -27.02 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.108 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -64.87 -63.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.54 110.913 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.04 -40.13 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -71.77 -29.71 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 73.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.45 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 73.34 111.154 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.17 -53.52 57.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.97 -25.24 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.009 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 -23.47 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 53.5 111.138 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -76.31 -33.88 59.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -112.44 12.16 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.82 28.01 22.31 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.717 -0.754 . . . . 63.13 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.76 165.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 74.33 111.086 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.02 118.48 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.893 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -130.6 159.05 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.31 125.14 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.918 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.43 155.45 31.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -132.31 121.36 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 74.32 111.095 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.77 103.58 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.05 110.844 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.92 179.81 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.125 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.2 27.35 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 75.24 110.819 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.64 -34.02 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 74.12 111.049 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.74 147.7 65.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 71.34 111.129 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.65 -15.95 37.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.717 2.278 . . . . 64.54 112.4 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.04 -26.21 39.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.78 -52.6 4.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -56.11 -28.73 58.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.945 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.82 -21.58 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.167 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.17 -35.2 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.16 -19.89 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.966 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.37 -24.12 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 54.32 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -83.01 -43.6 16.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.848 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -89.64 10.05 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.926 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.84 129.38 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.877 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.17 -102.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.485 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.817 HH11 ' NH1' ' A' ' 54' ' ' ARG . 10.3 mmt180 -83.01 -30.58 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 74.23 110.91 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m120 62.09 29.53 17.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.088 1.355 . . . . 70.31 112.038 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -75.1 -44.42 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.393 . . . . 75.32 111.158 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -127.07 157.37 72.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 72.33 110.931 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -179.76 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.702 2.268 . . . . 71.2 112.363 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.32 152.03 22.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 mm -116.85 144.43 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 72.43 111.046 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -132.26 105.99 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.4 110.927 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.8 pt -115.17 125.97 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.45 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.36 39.74 59.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 73.23 112.508 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m 63.65 25.17 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 72.15 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 36.6 t -106.24 148.45 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 70.01 111.174 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -85.05 129.39 34.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 73.12 110.788 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.86 132.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 72.21 111.117 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.85 14.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 74.03 112.436 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.62 -157.67 21.89 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.773 -0.727 . . . . 74.33 112.421 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.77 -35.86 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 64.33 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.05 -50.54 61.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.84 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.64 -44.49 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.873 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.36 -42.45 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 74.24 110.882 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.13 -41.74 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.89 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.55 111.087 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 61.3 mt -61.59 -39.49 91.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.955 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.53 -32.84 70.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.82 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -55.7 5.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.16 -29.76 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.922 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.71 48.52 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 74.1 112.465 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -127.85 25.36 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 74.54 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.52 -36.49 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.841 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.42 -51.76 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.42 110.867 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.69 -25.57 65.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.94 -51.05 36.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 74.03 110.875 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.85 -9.89 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.97 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.64 -25.37 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.846 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 31.1 p -147.08 -46.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 53.32 111.111 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 83.2 104.65 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 73.33 112.484 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.6 172.49 10.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.803 0.335 . . . . 72.54 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -20.61 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 75.23 110.876 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 119.711 -1.868 . . . . 64.32 111.306 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 121.416 0.453 . . . . 74.34 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -39.37 6.66 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.705 2.27 . . . . 71.45 112.432 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.37 168.4 50.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 75.23 112.53 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.0 m -143.48 142.67 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 70.44 110.862 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.9 ptm -175.86 164.62 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 75.42 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.3 m -72.7 -176.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 70.14 111.09 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -162.19 146.21 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.852 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.21 140.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.3 111.162 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -133.6 138.23 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.44 111.115 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 tt -114.39 143.85 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.065 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -93.18 99.86 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.947 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -171.56 146.88 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 74.55 111.196 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 158.92 3.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 74.53 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 83.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 75.23 112.385 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 74.51 112.474 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 161.87 -46.69 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 126.39 1.876 . . . . 75.03 115.241 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.84 -173.35 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 CA-C-N 119.159 0.735 . . . . 74.14 112.393 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -64.81 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 116.397 -1.764 . . . . 71.42 110.312 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 p 32.67 47.84 0.11 Allowed 'General case' 0 C--N 1.343 0.294 0 C-N-CA 126.175 1.79 . . . . 75.01 110.907 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.34 -41.84 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 72.24 111.182 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -56.65 -44.97 81.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 73.05 110.811 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -62.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 43.42 111.139 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -53.22 -30.77 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.929 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.088 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.83 -52.96 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.991 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mt -56.05 -25.54 45.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.953 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.03 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.074 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -76.51 -31.12 57.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.839 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.45 13.97 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.88 28.01 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 71.34 112.487 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.29 169.89 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 73.15 111.1 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.76 152.18 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -166.73 153.24 8.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.882 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.05 124.42 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.894 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -77.66 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.24 110.924 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -117.75 118.48 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.229 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -69.02 107.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.884 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.4 178.82 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.092 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m 59.38 26.33 15.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 71.44 111.069 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.45 147.61 63.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 74.22 111.14 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.11 36.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 73.14 112.35 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -74.51 -58.16 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 70.33 110.759 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.68 -57.69 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 63.32 110.95 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -51.9 -32.02 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.857 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.33 73.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 51.32 111.093 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.2 -50.2 74.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 64.13 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtp -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 72.02 110.903 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.24 -27.51 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 75.45 110.892 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.02 -53.3 54.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.847 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.64 -32.96 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 74.21 110.808 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 56.99 39.74 29.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 63.04 110.898 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.04 -173.66 2.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 73.42 112.499 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -53.67 167.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 74.4 110.846 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -125.1 39.52 3.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.43 0.692 . . . . 65.23 111.347 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -109.03 -26.16 10.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.476 -0.765 . . . . 75.33 111.137 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.1 157.26 69.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 73.31 110.836 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -176.8 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.3 112.303 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -113.34 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.9 150.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 74.55 111.05 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -140.37 139.32 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 73.42 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.12 109.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.34 111.138 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.62 -119.49 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 74.24 112.556 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.56 27.57 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 72.41 110.876 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.51 145.51 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 71.43 111.099 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -100.2 145.56 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.23 110.861 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.7 t -138.15 128.89 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.2 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.73 -85.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.479 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.03 -161.19 10.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 73.24 112.432 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 p -51.89 -32.22 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 73.42 110.878 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.45 -51.18 60.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.824 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.76 -43.79 35.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -41.32 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -74.89 -41.8 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.938 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.13 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 53.44 111.165 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.91 -38.74 91.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.22 -31.3 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.924 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.2 -52.93 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.784 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.61 -25.88 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 63.42 110.93 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.29 50.29 1.75 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 74.33 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -129.97 24.46 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 75.12 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -90.1 -36.65 14.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 73.22 110.895 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.29 -60.93 2.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 71.34 110.818 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -67.04 -16.26 64.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.874 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.36 -47.6 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.968 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.33 -17.5 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 71.45 110.933 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -39.04 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 74.12 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -141.65 -41.63 0.36 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 64.25 111.126 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.17 101.46 2.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 25.42 112.464 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.09 176.51 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 74.24 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -30.16 10.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 75.23 110.973 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 116.134 -1.888 . . . . 74.42 112.942 -172.505 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.431 0.462 . . . . 74.34 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -39.31 6.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 71.45 112.395 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.44 168.44 50.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.77 . . . . 75.23 112.524 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -143.49 142.66 31.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 70.44 110.875 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 25.0 ptm -175.88 164.66 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.834 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.76 -176.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.114 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -162.2 146.19 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.863 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.15 140.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.3 111.1 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -133.67 138.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 71.44 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 tt -114.42 143.84 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.101 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -93.18 99.94 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 t -171.62 146.92 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 74.55 111.157 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 159.0 3.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 74.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 83.89 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 75.23 112.38 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 111.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 74.51 112.482 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.257 11.7 m 144.64 -26.44 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 C-N-CA 131.064 3.746 . . . . 75.03 120.255 168.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.23 -174.34 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 115.49 -2.54 . . . . 74.14 112.361 161.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -69.19 -74.12 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 114.704 -2.569 . . . . 71.42 110.633 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.1 p 33.14 47.96 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 120.383 1.447 . . . . 75.01 110.879 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.44 -41.78 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 72.24 111.17 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -56.71 -44.86 81.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.876 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -62.8 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 43.42 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -53.09 -30.87 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.937 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.02 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.127 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.9 -52.93 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.931 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mt -56.05 -25.54 45.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.95 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.04 25.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.136 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.55 -31.06 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.856 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.48 13.97 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.86 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 28.0 23.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 71.34 112.48 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.39 169.84 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 73.15 111.071 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.6 152.22 19.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 72.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -166.79 153.24 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.841 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.03 124.46 23.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -77.78 144.36 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.841 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -117.86 118.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.488 . . . . 71.24 111.106 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.97 107.88 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.882 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.47 178.81 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.43 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m 59.34 26.38 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.894 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.95 -35.22 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.102 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.52 147.7 63.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 74.22 111.086 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -15.12 36.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 73.14 112.312 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -74.46 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 70.33 110.797 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -56.71 -57.65 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.911 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -52.0 -31.89 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.901 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.23 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 51.32 111.118 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.21 -50.21 74.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 64.13 110.852 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.0 mtp -71.28 -29.13 64.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 72.02 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.12 -27.65 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.924 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.04 -53.19 56.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.63 -33.02 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.81 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 57.01 39.79 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 63.04 110.872 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -173.7 2.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 73.42 112.438 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -53.67 167.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 74.4 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -126.81 45.22 2.73 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.278 0.631 . . . . 65.23 111.108 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -114.08 -26.01 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.783 0.325 . . . . 75.33 111.13 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.15 157.35 69.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.31 110.826 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.93 -176.77 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.269 . . . . 73.3 112.313 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -113.44 140.69 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 71.43 110.925 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.83 150.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.55 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.43 139.29 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.08 109.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.34 111.136 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.61 -119.48 12.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 74.24 112.417 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.58 27.61 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 72.41 110.856 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.55 145.48 25.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 71.43 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -100.13 145.51 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.903 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 37.6 t -138.18 128.87 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 64.1 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -85.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.33 112.516 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.97 -161.14 9.96 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 73.24 112.48 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -51.93 -32.2 31.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.914 0.388 . . . . 73.42 110.883 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.41 -51.27 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.44 110.805 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.67 -43.79 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.921 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.92 -41.33 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 74.53 110.874 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -74.94 -41.74 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.921 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.67 -42.12 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 53.44 111.165 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.86 -38.79 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.23 -31.33 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.856 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.11 -52.86 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 64.13 110.88 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.62 -25.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.42 110.88 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.35 50.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 74.33 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -129.94 24.42 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 75.12 110.862 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -90.01 -36.68 14.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.857 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.34 -60.84 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 71.34 110.813 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -67.12 -16.28 64.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 71.51 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.41 -47.53 19.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.95 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.44 -17.46 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.869 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -38.97 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.883 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -141.65 -41.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 64.25 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.18 101.49 2.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 25.42 112.476 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.1 176.47 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 74.24 110.92 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 -28.26 11.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 115.707 -2.092 . . . . 74.42 111.418 -171.661 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.436 0.464 . . . . 72.2 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.69 -48.21 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 71.41 112.345 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.79 -141.86 3.82 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 64.34 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.88 178.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.5 110.816 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 46.6 mtp -140.16 -170.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 62.15 110.905 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -68.31 -176.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 73.2 111.147 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -172.78 146.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 64.24 110.873 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 t -85.06 145.52 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.14 111.062 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.65 145.18 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 72.31 111.081 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 tt -127.29 126.62 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 71.21 111.104 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -89.74 101.91 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.81 170.38 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 75.25 111.159 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 135.48 87.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.626 0.726 . . . . 74.3 110.849 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 77.46 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.738 2.292 . . . . 71.44 112.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.55 98.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 72.01 112.443 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 162.28 -49.47 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.299 0 C-N-CA 126.782 2.033 . . . . 64.0 115.579 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.23 -171.34 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 117.901 -0.933 . . . . 65.24 112.31 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -93.64 42.11 1.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 119.634 -1.916 . . . . 74.12 110.389 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.64 43.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.368 -0.832 . . . . 54.21 110.937 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.41 17.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -65.81 -46.14 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 71.32 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.65 73.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 54.35 111.109 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -64.5 -43.61 93.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.821 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.2 111.123 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.56 -47.24 82.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 74.05 110.897 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.813 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.81 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -72.42 -54.99 7.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.888 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.9 7.88 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.9 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.29 35.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 63.14 112.442 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.37 169.89 17.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 63.33 111.119 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.8 160.07 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 73.2 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -165.98 148.28 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 65.23 110.882 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.27 126.63 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.922 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -81.24 158.04 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 74.25 110.827 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.5 mm -127.93 123.64 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 74.11 111.076 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -73.63 104.37 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.848 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.95 -179.89 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.063 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.55 21.21 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.11 110.819 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.48 -33.28 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 55.24 111.136 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.58 148.42 64.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.602 0.715 . . . . 72.35 111.097 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -11.69 31.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 75.11 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.97 -49.25 12.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 73.03 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.49 -56.49 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.05 110.866 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.9 -27.6 31.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.961 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.76 -44.38 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.24 111.061 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.42 -53.89 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 71.52 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -56.93 -24.24 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.864 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.43 -21.65 60.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.911 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.78 -43.02 80.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.812 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.04 10.53 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.05 110.822 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.59 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 70.31 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.96 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.806 -0.712 . . . . 62.15 112.469 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -97.81 121.51 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 73.41 110.824 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 73.79 7.94 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.541 -1.349 . . . . 73.43 109.0 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -113.72 -24.64 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.66 -1.154 . . . . 74.53 111.099 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.75 158.38 34.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.742 . . . . 74.24 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -178.36 2.28 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.735 2.29 . . . . 74.1 112.328 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.13 125.24 52.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.86 150.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 73.4 111.069 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.19 126.04 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 pt -134.81 123.1 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 75.54 111.107 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.37 -117.47 6.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 64.12 112.484 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.62 25.84 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 74.35 110.83 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.95 142.73 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 72.54 111.087 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.96 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.866 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.89 88.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 75.25 111.216 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.72 74.87 1.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.777 . . . . 73.24 112.479 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.6 110.99 0.41 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.757 -0.735 . . . . 70.43 112.525 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -51.85 -32.52 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.5 110.84 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.92 -35.83 77.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.03 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -67.01 -32.6 73.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.35 110.917 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -30.4 69.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 73.21 110.921 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.11 -28.56 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -50.66 70.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 72.01 111.058 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.09 -42.67 98.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -31.45 72.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 73.34 110.861 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.05 -35.95 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.54 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.18 -30.22 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.792 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.5 42.22 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.833 -0.699 . . . . 73.25 112.422 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -129.42 29.36 5.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.874 0.368 . . . . 74.22 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.03 -36.99 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.874 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.97 -65.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.84 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -58.24 -22.21 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 73.01 110.895 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -73.34 -45.94 52.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.479 . . . . 75.55 110.936 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.79 -9.87 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 71.01 110.872 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -31.64 12.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 75.41 110.925 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.3 p -137.56 -47.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.148 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.33 73.54 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.677 -0.773 . . . . 55.53 112.488 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -125.06 150.24 47.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 74.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -23.71 19.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.956 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--O 1.245 0.827 0 O-C-N 121.528 -0.733 . . . . 73.23 110.953 -163.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.467 0.482 . . . . 72.2 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.14 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.601 2.201 . . . . 71.41 112.405 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.72 -141.87 3.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 64.34 112.483 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.9 178.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 74.5 110.798 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 46.7 mtp -140.16 -170.56 2.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.15 110.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.34 -176.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.2 111.192 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -172.76 146.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.818 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.8 t -84.98 145.57 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 74.14 111.082 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.69 145.04 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.31 111.144 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 14.4 tt -127.22 126.64 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.092 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.8 102.01 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.917 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.88 170.33 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.25 111.146 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 135.41 87.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 74.3 110.843 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 77.54 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.774 2.316 . . . . 71.44 112.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 99.4 1.15 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 72.01 112.548 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 157.17 -42.04 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 C-N-CA 129.046 2.938 . . . . 64.0 117.643 171.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.13 -170.27 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 115.904 -2.264 . . . . 65.24 112.277 170.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.66 41.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 119.981 -1.699 . . . . 74.12 109.626 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.08 43.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.047 -1.033 . . . . 54.21 110.88 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.13 -31.39 17.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.07 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.85 -46.12 79.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.75 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 54.35 111.118 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -64.44 -43.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.876 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.18 61.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 72.2 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.57 -47.2 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.883 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 -24.66 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.054 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.49 -54.99 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.891 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.82 7.88 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.906 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.66 34.4 35.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.77 -0.729 . . . . 63.14 112.461 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.43 169.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 63.33 111.099 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.74 160.07 14.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -166.02 148.29 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 65.23 110.909 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.28 126.52 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.946 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -81.17 157.97 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.88 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -127.9 123.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 74.11 111.1 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.61 104.38 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.878 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.89 -179.9 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 72.43 111.154 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.57 21.22 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.812 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.52 -33.14 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 55.24 111.172 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.64 148.39 64.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 72.35 111.145 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -11.64 31.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 75.11 112.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.02 -49.19 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 73.03 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.52 -56.41 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 75.05 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.87 -27.76 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.879 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.65 -44.45 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -70.34 -53.99 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 71.52 110.83 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -57.0 -24.17 51.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.4 -21.71 60.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.945 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.71 -42.97 81.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.857 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.16 10.6 23.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.05 110.871 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.55 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.857 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.63 -102.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 62.15 112.451 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mmt-85 -97.84 125.51 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 73.41 110.893 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.13 61.12 6.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.595 -0.729 . . . . 73.43 112.242 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.1 p -112.44 -24.68 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.917 -0.489 . . . . 74.53 111.11 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.76 158.37 34.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 74.24 110.833 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 74.1 112.284 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.08 125.26 52.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.912 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.88 150.89 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.4 111.084 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -146.14 126.02 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 73.12 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 pt -134.7 123.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 75.54 111.147 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.38 -117.5 6.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 64.12 112.488 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.64 25.9 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 74.35 110.86 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.01 142.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 72.54 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.98 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 75.52 110.846 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.88 88.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.25 111.184 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.79 74.83 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 73.24 112.468 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.64 110.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 70.43 112.469 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.3 t -51.8 -32.52 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.5 110.905 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.96 -35.84 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 73.03 110.806 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.01 -32.63 73.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -30.37 69.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.886 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.11 -28.57 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.853 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.61 70.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.01 111.136 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.14 -42.62 98.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.85 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -31.43 72.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.881 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -36.01 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.54 110.855 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -76.23 -30.01 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.34 42.13 1.54 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 73.25 112.543 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -129.38 29.41 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 74.22 110.94 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.12 -36.88 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -58.03 -65.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 70.24 110.856 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 47.8 m -58.33 -22.15 52.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 73.01 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.4 -45.99 51.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.55 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.73 -9.89 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 71.01 110.864 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 -31.59 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 75.41 110.916 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 25.1 p -137.53 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.174 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.4 73.58 1.03 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 55.53 112.427 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -125.06 150.19 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 74.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.48 -22.87 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.963 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.245 0.829 0 N-CA-C 109.438 -0.579 . . . . 73.23 109.438 -169.198 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 121.464 0.48 . . . . 74.21 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.33 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.708 2.272 . . . . 74.22 112.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.5 -178.02 18.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 52.1 112.423 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -110.02 -18.22 13.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 64.13 110.876 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 mtp -64.87 168.32 6.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 63.4 110.88 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.57 164.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 75.15 111.094 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.84 147.44 40.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 t -94.89 133.52 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 72.53 111.182 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.83 149.26 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 64.53 111.129 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 tt -132.77 140.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.42 111.153 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.82 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.974 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.08 148.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.23 111.112 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -59.44 160.67 12.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 72.02 110.861 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 78.85 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 75.44 112.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 73.43 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m 162.32 -49.51 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.405 0 C-N-CA 127.218 2.207 . . . . 71.54 114.24 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.21 -170.72 0.44 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 119.606 0.895 . . . . 74.34 112.273 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.98 47.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.965 0.888 . . . . 72.04 109.311 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.66 34.67 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.394 -0.816 . . . . 62.21 110.877 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.15 -35.25 21.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.78 -48.89 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.8 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 71.14 111.164 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.55 -29.4 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.977 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.12 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 54.1 111.11 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -49.53 40.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.86 -39.55 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.55 110.936 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.38 53.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.149 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.41 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.809 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -94.75 10.34 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.36 20.17 43.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 74.24 112.553 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 169.49 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 74.25 111.133 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -104.0 159.85 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.86 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -160.58 164.5 31.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 74.02 110.894 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -137.91 130.8 29.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 65.43 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -94.59 136.58 34.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.887 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -104.15 132.72 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 75.41 111.109 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.05 91.51 1.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.78 179.86 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 16.79 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 -5.51 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.3 152.79 2.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.572 0.701 . . . . 63.42 111.046 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -7.97 22.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.687 2.258 . . . . 74.51 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -50.81 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 54.02 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.95 -40.5 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 53.42 110.917 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.35 -28.58 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.908 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.63 48.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 75.33 111.046 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.63 -35.39 45.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 74.43 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.1 mtp -90.79 -24.49 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 72.24 110.813 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -19.86 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 74.51 110.915 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.33 -49.1 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.08 -60.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 63.15 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -67.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.789 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.12 3.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 42.35 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -73.63 -23.34 59.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 74.12 110.92 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 60.48 27.63 17.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.123 1.514 . . . . 72.02 110.677 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 t -58.55 -30.31 67.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.659 -1.155 . . . . 65.2 111.117 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -141.34 157.58 65.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 73.43 110.875 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 161.82 44.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 71.12 112.42 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 118.0 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.978 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.0 mm -90.02 128.2 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 74.11 111.109 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.65 143.8 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 74.14 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.5 mt -145.33 111.91 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.25 111.151 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.53 -102.97 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 73.05 112.471 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.7 p -117.85 35.02 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 73.54 110.824 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.47 145.08 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 73.21 111.165 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -120.94 101.68 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.823 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.43 89.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 65.44 111.088 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.52 79.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.816 -0.707 . . . . 64.22 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.38 110.55 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.41 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.2 m -54.44 -30.41 52.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 75.52 110.832 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.11 -28.43 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 70.24 110.867 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -69.57 -37.89 77.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.895 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.44 -34.63 78.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.938 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.86 -30.07 61.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.858 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.38 79.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 61.43 111.153 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.83 -46.53 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.939 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -53.39 -35.32 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.867 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -45.5 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.831 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.1 -29.8 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.03 110.916 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 36.51 4.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 72.23 112.543 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -122.97 29.97 6.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 72.23 110.901 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.2 -37.19 18.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.81 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -59.18 -63.25 1.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 62.11 110.841 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -20.33 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 63.42 110.88 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.51 -52.11 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 73.24 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.45 -16.6 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.987 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 -40.16 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.977 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 p -130.78 -46.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 74.32 111.154 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.68 103.95 2.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 71.41 112.452 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 71.24 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -25.38 18.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.931 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 C--O 1.251 1.138 0 O-C-N 122.235 -0.291 . . . . 72.41 111.557 -169.048 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 121.411 0.45 . . . . 74.21 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -48.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.736 2.291 . . . . 74.22 112.396 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.42 -177.99 18.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.761 -0.733 . . . . 52.1 112.404 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -110.1 -18.19 13.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 64.13 110.77 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 26.7 mtp -65.02 168.31 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 63.4 110.881 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.44 164.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 75.15 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.83 147.49 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.1 110.82 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 t -94.93 133.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 72.53 111.119 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.86 149.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 64.53 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 12.5 tt -132.71 140.93 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.116 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.91 104.27 16.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.959 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.12 148.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 75.23 111.112 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -59.48 160.65 12.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 72.02 110.839 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.76 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.696 2.264 . . . . 75.44 112.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.32 112.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 73.43 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 42.1 t 156.64 -44.71 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 C-N-CA 128.863 2.865 . . . . 71.54 116.148 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.67 -170.4 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 115.818 -2.321 . . . . 74.34 112.367 171.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -94.03 44.93 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 120.756 -1.215 . . . . 72.04 109.937 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.47 34.73 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.68 -0.637 . . . . 62.21 110.938 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.2 -35.15 21.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.112 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.96 -48.82 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.817 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.76 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 71.14 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.49 -29.45 67.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.939 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.09 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.1 111.099 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.4 -49.53 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.991 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.86 -39.52 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.97 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.32 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 73.42 111.123 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.839 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -94.77 10.36 35.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.896 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.5 20.03 43.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.86 169.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 74.25 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -103.95 159.8 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.941 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -160.56 164.52 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.925 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -137.87 130.81 30.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -94.59 136.59 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -104.22 132.73 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 75.41 111.106 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.96 91.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.74 179.76 6.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 74.12 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.16 16.67 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.54 -5.48 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.24 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.3 152.81 2.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.513 0.673 . . . . 63.42 111.177 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.96 22.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 74.51 112.331 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -66.65 -50.71 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 54.02 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.94 -40.57 18.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.899 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.28 -28.61 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.25 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.82 -9.68 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 75.33 111.079 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.7 -35.34 45.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.2 mtp -90.86 -24.46 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.98 -19.79 64.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.29 -49.17 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.974 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.09 -60.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 63.15 110.911 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.46 -67.62 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.785 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.4 -59.2 3.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 42.35 112.481 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -73.56 -20.74 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 74.12 110.971 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 9.9 m120 58.71 29.11 18.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.28 1.032 . . . . 72.02 110.493 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 2.8 t -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 65.2 111.076 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -141.24 157.6 66.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 73.43 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 71.12 112.382 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.6 117.97 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.961 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 24.8 mm -89.92 128.13 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.175 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.59 143.78 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 10.3 mt -145.32 111.85 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.197 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.58 -103.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 73.05 112.465 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -117.86 35.02 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 73.54 110.861 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -115.49 145.03 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.21 111.138 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -120.92 101.61 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 64.01 110.815 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.37 89.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 65.44 111.136 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.64 79.5 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 64.22 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.45 110.42 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 74.43 112.477 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 64.1 m -54.42 -30.31 52.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 75.52 110.927 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -76.2 -28.41 57.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 70.24 110.856 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.826 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.41 -34.7 78.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 73.2 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.45 79.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.074 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.86 -46.5 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -53.41 -35.3 60.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.5 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -45.56 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 65.44 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.16 -29.63 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.931 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.61 36.57 4.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -123.07 30.01 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.23 110.863 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.21 -37.2 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.4 110.887 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -59.14 -63.29 1.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.832 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -20.34 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 63.42 110.948 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.59 -51.97 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 73.24 110.884 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.53 -16.6 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.91 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -40.08 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.952 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -130.84 -47.02 1.03 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.077 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.75 103.92 2.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.76 . . . . 71.41 112.403 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 71.24 110.829 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.57 -23.62 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.96 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--O 1.248 0.975 0 N-CA-C 107.782 -1.192 . . . . 72.41 107.782 -176.629 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 121.415 0.453 . . . . 73.42 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 147.45 63.09 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.665 2.243 . . . . 71.23 112.348 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.4 92.35 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.663 -0.78 . . . . 72.32 112.456 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -18.97 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 72.2 110.857 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.4 167.74 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.939 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -93.82 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 65.11 111.106 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.86 131.33 54.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 71.45 110.865 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -98.11 146.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.125 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -139.99 154.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 72.21 111.131 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 tt -142.35 140.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 73.01 111.096 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -89.75 109.67 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.5 151.18 28.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 74.02 111.176 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.733 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 32.5 mtt85 -84.3 154.52 63.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 74.51 110.909 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.28 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.707 2.271 . . . . 72.24 112.409 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.566 ' O ' ' HB2' ' A' ' 16' ' ' CYS . . . 77.34 96.61 0.2 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 70.11 112.507 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.733 ' SG ' ' HD2' ' A' ' 13' ' ' ARG 0.359 37.6 t 177.32 -68.88 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.202 1 O-C-N 115.755 -4.379 . . . . 70.0 100.486 -157.557 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -86.62 -174.8 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.102 1 C-N-CA 133.963 9.775 . . . . 73.32 112.376 -172.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -112.01 57.37 0.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 122.395 1.093 . . . . 75.43 112.215 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -92.13 45.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 119.565 -1.96 . . . . 72.12 110.855 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -44.46 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.121 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -62.11 -41.61 98.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 62.14 110.84 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -64.28 -22.59 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 72.4 110.94 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.8 -41.06 61.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.132 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -88.42 -46.5 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.922 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.75 -42.67 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.956 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.54 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 64.1 111.12 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -24.09 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 71.02 110.811 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -93.35 -10.34 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.888 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.31 6.95 88.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.789 -0.719 . . . . 72.31 112.455 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 154.03 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 74.22 111.075 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.99 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.862 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 71.34 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -149.84 124.38 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -77.42 159.99 29.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 74.42 110.817 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -137.21 104.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 72.34 111.095 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.49 103.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 65.23 110.849 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.2 178.36 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 74.21 111.103 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.04 26.63 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.917 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.65 -34.04 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 74.33 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.39 147.54 60.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.499 0.666 . . . . 74.1 111.243 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -16.95 37.58 Favored 'Trans proline' 0 C--N 1.34 0.108 0 C-N-CA 122.734 2.289 . . . . 71.32 112.248 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -37.37 70.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 73.04 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.6 mt -89.75 -50.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.04 110.849 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -52.35 -29.84 25.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.02 88.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.143 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -73.37 -42.8 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.885 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.0 ttp -71.4 -26.03 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.24 110.799 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.16 -26.62 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 73.41 110.927 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.99 -40.21 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 65.03 110.952 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.07 -26.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.2 m -52.21 140.85 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.858 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.1 -20.99 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.51 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.46 -39.82 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 75.32 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 57.98 41.99 23.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.237 -1.347 . . . . 75.22 110.722 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -105.0 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.946 -1.025 . . . . 75.33 111.202 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.79 157.39 52.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.772 0.796 . . . . 75.12 110.804 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 172.31 12.73 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.666 2.244 . . . . 74.42 112.409 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -97.75 116.47 30.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.9 mm -90.14 143.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.146 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.64 139.73 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.815 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.1 pt -146.51 117.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.069 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.69 -118.56 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.766 -0.73 . . . . 73.23 112.471 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -110.26 25.03 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 74.1 110.85 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.92 144.64 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.159 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.19 146.21 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.52 127.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 72.15 111.142 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.48 -52.72 31.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.814 -0.708 . . . . 73.43 112.459 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.64 -153.87 24.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 52.11 112.527 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -51.98 -36.21 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 62.3 110.895 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -49.16 68.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.897 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.55 -43.52 26.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.87 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.31 -34.18 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 72.4 110.99 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -76.87 -41.81 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 70.24 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 63.25 111.077 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.49 -39.58 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.74 -29.47 64.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.896 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.05 -54.14 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 73.33 110.915 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.98 -26.12 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.38 34.56 6.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.771 -0.728 . . . . 71.31 112.539 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.51 26.42 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 74.52 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -78.9 -36.31 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.935 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -55.98 -55.55 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 75.53 110.852 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -61.77 -33.27 73.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -55.89 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 75.14 110.943 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.58 -21.41 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 64.24 110.944 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -40.0 46.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.913 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -147.04 -42.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.32 111.107 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.65 112.06 2.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 63.54 112.394 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.36 130.34 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 73.31 110.915 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.12 -31.84 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.55 110.95 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.48 1.032 0 O-C-N 117.483 -3.261 . . . . 74.33 108.992 -168.134 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 121.425 0.458 . . . . 73.42 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 147.48 63.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.627 2.218 . . . . 71.23 112.315 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.38 92.27 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 72.32 112.474 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.44 -19.01 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 72.2 110.82 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 167.72 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.885 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -93.76 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 65.11 111.056 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.89 131.34 54.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 71.45 110.82 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 t -98.06 146.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.124 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.04 154.1 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.21 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 tt -142.22 140.78 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.149 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 74.03 110.94 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.53 151.13 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.208 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 32.6 mtt85 -84.34 154.57 63.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 74.51 110.874 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 78.28 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.733 2.289 . . . . 72.24 112.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.35 102.85 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 70.11 112.484 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 16' ' ' CYS 0.315 37.2 t 162.24 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 C-N-CA 129.261 3.024 . . . . 70.0 116.412 174.022 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -63.44 -172.0 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.427 -2.582 . . . . 73.32 112.327 176.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -117.04 58.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 124.178 0.991 . . . . 75.43 110.437 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -93.03 45.56 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.082 -1.011 . . . . 72.12 110.949 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -44.46 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 74.43 111.102 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -62.14 -41.63 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 62.14 110.857 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.29 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -64.29 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 72.4 110.859 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.7 -41.15 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.063 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -88.42 -46.42 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.997 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.71 -42.73 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.51 111.011 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.5 71.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 64.1 111.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -24.01 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.828 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -93.44 -10.39 35.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.956 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.43 6.89 88.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 72.31 112.476 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.39 154.07 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.739 0.304 . . . . 74.22 111.119 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.88 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.938 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.898 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -149.88 124.33 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 74.31 110.925 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -77.3 159.99 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.873 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -137.25 104.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 72.34 111.107 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.43 103.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 65.23 110.929 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.11 178.27 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.085 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.11 26.54 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.56 -34.07 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.33 111.072 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.37 147.61 60.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 74.1 111.165 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -17.05 37.55 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 71.32 112.215 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.75 -37.38 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 73.04 110.917 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -89.68 -50.6 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.951 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -52.39 -29.88 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.931 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.99 88.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 72.11 111.052 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -73.34 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 12.1 ttp -71.41 -26.03 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.24 110.809 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.06 -26.63 68.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 73.41 110.911 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -69.98 -40.32 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 65.03 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.08 -26.32 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 75.41 110.836 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.6 m -52.01 140.84 19.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 73.54 110.903 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.07 -21.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 72.33 112.508 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.47 -39.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 75.32 110.865 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 54.75 44.73 28.04 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.914 1.285 . . . . 75.22 110.746 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -105.25 -60.2 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.389 -1.278 . . . . 75.33 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.73 157.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 75.12 110.866 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 172.32 12.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.645 2.23 . . . . 74.42 112.315 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -97.73 116.34 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.921 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 40.9 mm -90.01 143.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.138 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.69 139.67 42.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 7.1 pt -146.55 117.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.53 111.115 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.89 -118.66 7.5 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.694 -0.765 . . . . 73.23 112.457 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -110.24 25.06 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.1 110.907 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.2 t -117.89 144.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 74.32 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.14 146.21 26.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 73.3 110.854 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.52 127.92 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.15 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.49 -52.61 32.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.486 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.59 -153.92 24.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.753 . . . . 52.11 112.476 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -51.94 -36.26 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 62.3 110.867 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -49.25 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 75.02 110.819 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.49 -43.54 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.937 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.24 -34.3 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 72.4 110.95 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.85 -41.83 42.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 70.24 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.71 -41.47 67.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 63.25 111.124 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.38 -39.73 94.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -57.63 -29.52 64.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 72.51 110.88 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.04 -54.16 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 73.33 110.858 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.96 -26.09 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.861 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.32 34.63 6.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 71.31 112.502 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.62 26.42 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 74.52 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -78.83 -36.35 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.956 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.03 -55.51 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.874 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -61.7 -33.29 73.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.877 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -55.89 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.969 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.49 -21.44 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.24 110.947 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -40.1 46.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.931 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -146.99 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.64 111.95 2.38 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.702 -0.761 . . . . 63.54 112.465 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.33 130.36 30.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.31 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 -31.39 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.55 110.9 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.473 0.699 0 O-C-N 117.595 -3.191 . . . . 74.33 108.673 -170.696 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 121.392 0.44 . . . . 74.15 112.552 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.66 20.02 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.659 2.24 . . . . 73.11 112.376 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.93 -170.37 35.04 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.722 -0.751 . . . . 74.45 112.466 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -101.19 -176.25 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 64.43 110.91 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -153.92 162.72 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.43 -173.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 74.42 111.108 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -143.24 128.86 19.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.15 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.7 150.36 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.154 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -139.63 153.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.235 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tt -132.65 136.49 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.141 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.8 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.956 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.14 152.77 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.02 111.098 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.819 HH12 ' HA ' ' B' ' 16' ' ' CYS . 1.8 mtt180 -66.43 160.12 68.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 75.43 110.853 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 87.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 73.1 112.266 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.8 97.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 72.5 112.51 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.006 ' C ' HH12 ' B' ' 13' ' ' ARG . 0.0 OUTLIER -177.6 -110.79 0.0 OUTLIER Pre-proline 1 N--CA 1.374 -4.27 2 N-CA-C 86.928 -8.916 . . . . 73.01 86.928 -176.219 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.686 ' N ' HH12 ' B' ' 13' ' ' ARG . 53.1 Cg_endo -34.24 -176.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 1 C-N-CA 135.025 10.484 . . . . 73.45 112.279 -161.741 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.52 -77.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 115.564 -2.16 . . . . 62.24 111.34 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.74 47.13 0.15 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 125.021 1.328 . . . . 72.03 110.902 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -42.49 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.52 111.109 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.5 -47.13 80.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 73.5 110.94 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.87 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.14 111.126 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -63.97 -45.71 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.852 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -60.36 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 60.05 111.103 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.8 tp -51.82 -53.88 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.908 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.18 -22.47 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.902 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.89 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 70.52 111.1 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.41 -35.56 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.848 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -107.96 16.28 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 72.14 110.868 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.41 20.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 54.52 112.425 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.01 156.77 39.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 75.54 111.05 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.23 157.79 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -170.23 153.45 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.53 127.12 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.35 155.65 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -130.34 124.57 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.14 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.45 98.1 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.951 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.58 179.22 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.036 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.31 26.35 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 63.33 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.52 -35.93 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.01 111.162 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.94 147.58 63.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.727 . . . . 74.14 111.158 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.63 36.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.276 . . . . 75.45 112.369 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.35 -48.51 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.7 -57.87 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.958 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -53.49 -28.32 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 75.3 110.887 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.46 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.159 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.0 -49.04 40.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.979 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.39 -20.34 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 63.41 110.8 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -63.5 -53.48 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 74.3 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.42 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.862 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.26 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.832 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -51.94 163.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 73.01 110.845 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.92 117.1 3.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.504 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.93 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 73.14 110.902 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.46 49.18 0.81 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 74.0 111.9 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 t -94.49 -26.91 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 120.976 -1.078 . . . . 71.45 111.14 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -138.86 157.35 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.691 0.758 . . . . 75.42 110.897 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.22 3.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.813 2.342 . . . . 74.01 112.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.92 125.14 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 75.52 110.87 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.3 mm -96.5 115.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.125 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.18 117.31 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 pt -114.22 95.44 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.097 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.05 -97.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.505 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.2 38.81 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 72.22 110.855 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -139.4 143.05 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.182 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.45 145.76 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.9 t -135.41 138.13 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 74.24 111.111 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.14 -48.14 40.14 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 70.35 112.555 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.17 -155.81 26.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 63.14 112.507 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -52.06 -29.95 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 75.5 110.93 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.59 -54.35 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.796 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.42 -41.64 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 75.54 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -52.0 -29.87 22.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -37.95 29.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.9 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.11 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.95 -42.26 75.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -30.43 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.964 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.02 -41.48 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 75.04 110.926 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -70.08 -29.84 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.2 33.39 3.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 62.15 112.524 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 72.03 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -87.42 -38.06 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.63 -59.91 3.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.851 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.6 -26.37 67.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.76 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.68 -42.14 78.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.939 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -89.83 -15.03 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.909 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.98 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.929 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.0 p -145.53 -52.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.25 111.132 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 41.34 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 72.24 112.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.26 137.86 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 74.32 110.942 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.44 -20.49 50.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 65.13 110.975 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 C--O 1.244 0.773 0 O-C-N 120.695 -1.253 . . . . 75.15 109.454 179.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 121.414 0.452 . . . . 74.15 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.58 20.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.603 2.202 . . . . 73.11 112.378 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.93 -170.49 35.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 74.45 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -101.19 -176.24 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 64.43 110.929 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -153.99 162.66 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m -108.32 -173.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.42 111.098 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -143.23 128.92 19.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.509 . . . . 61.15 110.935 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.82 150.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.116 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.69 153.23 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.45 111.085 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tt -132.75 136.47 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.098 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.84 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.19 152.71 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.133 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 1.006 HH12 ' C ' ' A' ' 16' ' ' CYS . 1.8 mtt180 -66.31 160.07 67.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 75.43 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 87.72 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.732 2.288 . . . . 73.1 112.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.7 95.3 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.695 -0.764 . . . . 72.5 112.473 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.819 ' HA ' HH12 ' A' ' 13' ' ' ARG 0.273 0.8 OUTLIER -173.05 -66.93 0.0 OUTLIER Pre-proline 0 N--CA 1.408 -2.54 0 C-N-CA 116.039 -2.264 . . . . 73.01 108.968 -169.859 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' B' ' 16' ' ' CYS . 53.0 Cg_endo -75.64 -174.66 2.1 Favored 'Trans proline' 0 C--O 1.231 0.145 1 C-N-CA 130.695 7.597 . . . . 73.45 112.27 -179.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 114.584 -2.626 . . . . 62.24 110.746 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.57 47.1 0.14 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 121.251 1.841 . . . . 72.03 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -42.42 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.48 -47.22 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.97 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.069 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -63.9 -45.72 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 75.45 110.879 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.69 -60.34 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 60.05 111.089 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 21.8 tp -51.88 -53.71 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.954 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.32 -22.38 52.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.891 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.6 -20.03 25.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.52 111.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.29 -35.67 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.799 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -107.86 16.17 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 72.14 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.84 27.42 20.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 54.52 112.506 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.69 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 75.54 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.1 157.75 22.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -170.18 153.54 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.23 110.941 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.55 127.08 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 65.51 110.935 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.33 155.65 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.96 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 77.7 mt -130.27 124.56 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.286 -0.415 . . . . 75.11 111.15 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -82.51 98.09 8.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.963 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.47 179.24 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.195 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.32 26.36 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 63.33 110.799 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.46 -36.12 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 64.01 111.167 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.92 147.59 63.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 74.14 111.115 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -14.69 36.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 75.45 112.384 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.33 -48.58 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.65 -57.87 7.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.22 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -53.45 -28.38 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.903 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.24 -36.56 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 72.21 111.071 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.99 -49.06 40.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.27 -20.39 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 63.41 110.859 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -63.45 -53.54 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.38 -36.15 82.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.912 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.15 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -51.94 163.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 73.01 110.876 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.04 117.02 3.01 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.665 -0.779 . . . . 72.02 112.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.91 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 73.14 110.893 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.94 47.6 0.87 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.527 0.936 . . . . 74.0 113.527 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 3.7 t -90.4 -26.88 19.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.453 . . . . 71.45 111.186 -175.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -138.89 157.27 71.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 75.42 110.928 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.24 3.83 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.777 2.318 . . . . 74.01 112.325 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.93 125.09 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 75.52 110.872 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.4 mm -96.53 115.76 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.24 111.153 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.14 117.32 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.25 110.898 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 pt -114.22 95.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.076 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.16 -97.53 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 73.11 112.437 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.26 38.8 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 72.22 110.827 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 89.2 t -139.38 143.06 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 73.04 111.163 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.38 145.73 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.36 138.18 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.24 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.29 -48.11 41.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 70.35 112.456 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.82 26.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.683 -0.77 . . . . 63.14 112.426 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -51.93 -30.06 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 75.5 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.5 -54.48 36.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 75.14 110.747 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -81.37 -41.68 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 75.54 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -52.0 -29.78 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 71.54 110.922 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.73 -37.88 29.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 75.35 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.31 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.96 -42.19 75.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -30.49 68.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.879 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.03 -41.46 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 75.04 110.913 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -70.0 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.15 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.25 33.43 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 62.15 112.483 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -116.73 29.98 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 72.03 110.779 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -87.45 -38.02 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.929 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.77 -59.8 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.63 -26.35 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 70.43 110.776 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.68 -42.08 78.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.956 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 pp -89.89 -15.0 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.944 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.97 20.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 72.25 110.932 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -145.6 -52.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 64.25 111.067 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.36 41.19 7.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 72.24 112.556 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.2 138.02 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 74.32 110.895 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.6 -18.22 54.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.945 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--O 1.249 1.046 0 N-CA-C 107.755 -1.202 . . . . 75.15 107.755 173.077 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.446 0.47 . . . . 73.15 112.574 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.75 164.37 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.769 2.313 . . . . 71.03 112.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.16 175.62 25.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 54.52 112.508 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -115.81 157.23 24.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 64.21 110.845 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.3 ptm -165.69 171.68 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 70.12 110.838 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 m -81.65 -177.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.048 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.86 143.88 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.22 110.851 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.7 t -86.31 134.52 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -135.01 148.23 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.186 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.36 134.31 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.187 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.32 100.28 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 62.5 110.934 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.77 173.79 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 72.22 111.089 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.83 159.6 34.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.734 . . . . 74.13 110.899 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.78 36.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 65.34 112.32 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.59 116.05 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 71.2 112.475 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 159.5 -51.18 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 127.596 2.359 . . . . 72.42 113.639 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.97 -171.78 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 119.073 0.705 . . . . 72.03 112.349 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.25 39.46 0.72 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.377 1.084 . . . . 62.54 112.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.19 -11.59 32.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.327 -1.483 . . . . 74.24 110.885 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.6 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 72.32 111.108 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.46 -59.18 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.64 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 72.1 111.071 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -67.88 -35.05 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.43 110.899 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 73.23 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.6 tp -56.07 -45.48 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 73.32 110.92 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.99 -25.5 44.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.886 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.1 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 111.133 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.28 -24.14 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 73.31 110.881 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -117.56 17.59 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 72.5 110.944 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.82 22.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 42.22 112.538 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.08 170.02 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 72.21 111.087 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.98 159.76 15.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.1 110.92 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -168.63 159.82 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.904 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.5 120.7 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.89 154.97 24.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.3 mt -132.78 115.98 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.33 111.183 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.68 109.87 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.923 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.51 179.94 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 63.14 111.081 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.18 27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 -33.95 3.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.137 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.95 147.61 64.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 74.14 111.189 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -15.55 37.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 71.42 112.348 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.15 -55.95 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -52.19 -33.85 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.828 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.31 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.41 111.055 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.68 -59.55 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 73.5 110.823 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.15 -26.82 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 73.11 110.843 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.13 -26.06 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 71.22 110.851 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -52.16 -54.78 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.922 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -74.77 -57.99 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 74.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 t 60.44 46.24 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.841 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.31 -149.57 24.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 63.41 112.508 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.27 170.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 74.32 110.852 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -131.34 22.34 4.78 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 122.931 0.492 . . . . 74.52 111.053 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -52.86 12.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.833 0.349 . . . . 72.25 111.116 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.38 158.15 47.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.735 0.778 . . . . 75.5 110.858 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 176.31 6.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 72.51 112.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.32 111.44 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.976 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.7 mm -91.82 144.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.111 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.7 139.82 31.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.1 mt -144.13 98.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.35 111.113 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.12 72.27 0.54 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.475 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.68 55.52 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 74.4 110.868 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 56.6 t -140.03 104.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.157 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.83 110.24 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 127.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 62.32 111.211 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.15 -45.96 27.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 73.24 112.455 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.14 -151.52 23.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 72.15 112.459 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.22 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 63.4 110.889 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -49.85 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 72.13 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -80.8 -44.04 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 65.43 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -51.79 -42.1 62.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.93 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.06 -40.82 60.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.35 -52.41 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 70.55 111.006 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.71 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 71.43 110.886 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.9 -41.52 98.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 70.13 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.4 -52.97 62.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.31 -30.03 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.875 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.0 49.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 73.12 112.533 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.05 29.94 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 74.34 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 pp -88.95 -37.03 15.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.964 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.48 -60.92 2.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 70.1 110.847 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -65.98 -22.19 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 65.11 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.65 -51.37 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.914 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.33 -9.93 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -40.1 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.55 110.877 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t -140.94 -41.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 72.21 111.22 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.27 109.43 2.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 64.13 112.508 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -144.63 139.07 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 73.22 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.77 -19.99 22.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.947 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mt . . . . . 0 C--O 1.246 0.915 0 O-C-N 121.105 -0.997 . . . . 74.05 108.592 -177.208 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 121.487 0.493 . . . . 73.15 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 164.4 34.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.788 2.326 . . . . 71.03 112.29 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.16 175.54 25.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 54.52 112.5 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -115.75 157.19 24.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 64.21 110.779 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 13.3 ptm -165.73 171.63 12.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 70.12 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -81.61 -177.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.023 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.88 143.89 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 71.22 110.844 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -86.34 134.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 71.34 111.1 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.95 148.25 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.168 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.34 134.33 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 73.13 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.35 100.24 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 62.5 110.9 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.73 173.73 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.125 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.76 159.51 34.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 74.13 110.968 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.63 36.35 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 65.34 112.369 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.56 116.34 0.39 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.79 -0.719 . . . . 71.2 112.49 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' HD3' ' B' ' 17' ' ' PRO 0.256 25.1 p 154.11 -39.34 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 129.225 3.01 . . . . 72.42 116.581 173.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . 0.427 ' HD3' ' SG ' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.27 -172.02 0.58 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 117.13 -1.447 . . . . 72.03 112.331 170.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -86.97 49.0 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.468 1.127 . . . . 62.54 110.819 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.81 -11.51 20.71 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.095 -1.003 . . . . 74.24 110.909 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.56 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 72.32 111.035 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.52 -59.2 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 64.3 110.812 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.67 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -67.93 -35.09 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 64.43 110.848 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.62 -64.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 73.23 111.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 tp -56.02 -45.47 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.914 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.06 -25.43 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.866 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.98 -20.1 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.225 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.37 -24.12 57.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.861 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -117.51 17.59 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.5 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.14 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.751 . . . . 42.22 112.49 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.08 170.04 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 72.21 111.053 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -104.96 159.75 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.1 110.97 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -168.63 159.78 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.801 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.42 120.71 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.88 155.06 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.906 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.7 mt -132.81 115.95 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 71.33 111.136 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.77 110.0 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.853 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.58 179.98 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 63.14 111.042 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.17 26.97 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.86 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 72.54 111.082 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.97 147.64 64.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 74.14 111.169 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -15.55 36.73 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 71.42 112.328 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.94 -42.69 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.892 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.15 -56.07 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.888 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -52.09 -33.9 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.81 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.29 94.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.128 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.71 -59.39 4.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 61.7 mtp -63.32 -26.75 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.845 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -68.11 -25.98 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.15 -54.76 26.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -74.82 -58.02 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 74.23 110.849 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t 60.52 46.2 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.796 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.3 -149.59 24.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.23 169.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 74.32 110.846 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.97 26.66 4.6 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.994 -0.441 . . . . 74.52 111.362 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -52.83 11.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.839 0.352 . . . . 72.25 111.155 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.36 158.04 47.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 75.5 110.955 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 176.33 6.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 72.51 112.339 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.33 111.51 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 37.9 mm -91.84 144.77 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.096 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.68 139.82 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 75.33 110.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 5.2 mt -144.02 98.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.131 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.03 72.36 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.822 -0.704 . . . . 70.43 112.53 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.57 55.59 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 74.4 110.946 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.1 t -140.07 104.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 72.31 111.125 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.93 110.23 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.895 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.06 127.8 70.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.474 . . . . 62.32 111.137 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.07 -46.02 26.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.814 -0.708 . . . . 73.24 112.475 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.12 -151.54 23.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 72.15 112.476 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.18 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 63.4 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -49.9 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 72.13 110.837 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -80.73 -44.07 19.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.852 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.84 -42.04 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.915 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.0 -40.9 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 73.54 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.46 59.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 70.55 111.05 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.7 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.904 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.83 -41.48 97.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 70.13 110.943 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.46 -52.92 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 74.13 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -63.43 -29.86 71.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.935 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.98 49.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 73.12 112.534 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.14 29.97 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 74.34 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 pp -89.04 -37.12 15.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.89 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -60.96 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 70.1 110.882 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -66.07 -22.19 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.805 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.68 -51.23 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.957 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.4 -9.91 58.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.924 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.42 -40.09 16.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 65.55 110.868 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 2.0 t -140.9 -41.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 72.21 111.206 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.34 109.48 2.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.664 -0.779 . . . . 64.13 112.426 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -144.65 138.98 27.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 73.22 110.962 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -18.62 23.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 74.44 110.919 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.242 0.709 0 N-CA-C 107.004 -1.48 . . . . 74.05 107.004 178.596 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.462 0.479 . . . . 41.32 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.68 -47.56 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.274 . . . . 71.25 112.338 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.56 169.05 12.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.857 -0.687 . . . . 70.05 112.518 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -120.14 127.48 52.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.778 0.323 . . . . 53.54 110.911 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.16 -171.68 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.95 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.37 163.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 64.45 111.161 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.21 138.42 54.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 52.13 110.907 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -79.82 140.24 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.115 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.66 146.15 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.122 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.0 tt -144.57 133.85 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.124 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -89.96 101.4 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.907 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -176.08 160.07 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 65.3 111.153 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -69.0 159.81 81.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 71.13 110.802 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.73 24.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 75.42 112.315 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.46 105.65 0.18 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.709 -0.758 . . . . 51.02 112.439 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.3 t 166.51 -51.16 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 127.137 2.175 . . . . 73.43 113.915 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -72.13 -170.71 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 O-C-N 121.829 0.384 . . . . 65.15 112.405 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -92.76 38.13 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.78 0.8 . . . . 71.34 111.303 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.85 30.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 120.984 -1.073 . . . . 64.45 110.832 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.88 33.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 61.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -68.2 -61.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.22 -40.64 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 75.22 111.045 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -74.01 -34.61 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.875 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.058 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -70.46 -51.21 30.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 72.51 110.907 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.02 -32.45 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.23 110.906 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.72 70.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.031 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -39.2 57.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 75.15 110.858 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -90.02 10.6 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.61 22.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 63.41 112.555 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.59 149.23 38.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 61.12 111.034 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -99.25 118.86 36.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -118.86 177.85 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.827 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.11 113.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 63.35 110.76 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.42 141.02 37.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 75.23 110.897 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -116.92 119.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 73.22 111.088 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.19 102.96 9.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 75.41 110.893 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.34 -179.91 7.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 75.25 111.093 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.78 24.21 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.856 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.26 13.15 4.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 70.23 111.129 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -178.12 147.24 0.59 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 73.51 111.163 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.59 37.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.229 . . . . 73.43 112.306 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.39 -44.66 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.23 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mt -90.07 -46.99 8.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.901 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -52.07 -33.58 39.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.829 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.14 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.119 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.37 -51.05 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.2 mmm -63.78 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 72.1 110.947 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.66 -25.73 68.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.846 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -52.09 -44.54 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.83 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.51 -59.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.911 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.92 33.72 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.05 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.85 -161.65 5.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.789 -0.72 . . . . 45.52 112.446 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.907 HH22 HH12 ' B' ' 21' ' ' ARG . 12.1 mmt180 -59.06 179.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 75.02 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' B' ' 18' ' ' TYR 0.292 0.1 OUTLIER -95.26 50.88 1.28 Allowed 'General case' 0 N--CA 1.479 0.992 0 O-C-N 118.429 -2.669 . . . . 73.11 109.969 -179.733 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.8 p -70.72 -172.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 113.861 -1.518 . . . . 70.04 111.166 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.5 156.88 1.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.734 0.778 . . . . 74.22 110.846 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 70.32 112.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.47 112.98 26.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 72.05 110.863 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.7 mm -89.86 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 73.33 111.079 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -142.91 131.74 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.89 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.5 mm -129.67 104.04 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.11 111.117 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.82 -89.09 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 73.23 112.533 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.27 24.55 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.943 0.401 . . . . 74.23 110.895 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.27 149.71 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 73.15 111.119 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.84 124.47 48.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.89 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -124.33 123.55 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 70.22 111.153 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.94 -37.42 35.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.713 -0.756 . . . . 52.02 112.468 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.98 -146.2 13.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 62.51 112.452 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -58.29 -22.74 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 75.1 110.844 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.89 -59.1 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.823 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.09 -35.11 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 44.55 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -51.74 -46.02 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.854 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -77.04 -28.32 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 75.23 110.839 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.69 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.23 111.131 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.99 -39.61 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.39 -36.54 76.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 74.53 110.832 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.65 -56.41 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.807 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.14 -21.04 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.23 21.46 35.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 75.02 112.496 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -77.27 -14.85 59.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 75.54 110.955 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.75 -36.34 36.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.85 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.3 -65.03 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.936 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.15 -17.75 63.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.72 -51.81 13.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.939 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.24 -9.84 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.43 110.862 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.53 -40.2 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 73.35 110.868 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -139.53 -41.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.03 111.157 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 65.35 1.41 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 65.01 112.554 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.15 149.35 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 71.34 110.822 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.56 -24.73 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 74.54 110.934 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 C--O 1.246 0.905 0 CA-C-O 116.316 -1.802 . . . . 75.31 109.327 -176.865 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 121.433 0.463 . . . . 41.32 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -47.53 0.91 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.782 2.321 . . . . 71.25 112.309 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.57 169.04 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 70.05 112.527 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -120.16 127.58 52.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 53.54 110.917 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -171.73 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.35 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.45 111.075 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.29 138.37 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 52.13 110.781 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.5 t -79.85 140.33 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 75.33 111.141 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.73 146.11 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 tt -144.49 133.72 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.147 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -89.95 101.41 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.92 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -176.08 160.09 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 65.3 111.122 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -68.81 159.81 80.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 71.13 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.602 2.202 . . . . 75.42 112.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.44 105.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 51.02 112.469 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.17 -53.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.547 0 C-N-CA 127.019 2.128 . . . . 73.43 112.364 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.37 -169.7 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 118.452 0.483 . . . . 65.15 112.423 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 3.2 m-85 -100.87 46.36 0.95 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.528 1.156 . . . . 71.34 109.022 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.89 30.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.998 -1.001 . . . . 64.45 110.84 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.86 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.907 HH12 HH22 ' A' ' 54' ' ' ARG . 13.1 mmt85 -68.32 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.908 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.32 -40.6 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.018 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -74.01 -34.58 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 74.23 111.143 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.39 -51.23 31.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.981 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.12 -32.4 47.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.83 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.7 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.093 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.81 -39.2 57.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -90.06 10.76 22.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.57 22.19 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.754 -0.736 . . . . 63.41 112.514 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.55 149.25 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 61.12 111.07 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -99.15 118.75 36.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -118.82 177.92 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.806 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.17 113.47 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.765 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.33 140.91 37.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 75.23 110.954 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.84 119.35 61.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 73.22 111.154 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.11 103.02 9.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 75.41 110.839 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.38 -179.9 7.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 75.25 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.87 24.13 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.772 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.19 13.0 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 70.23 111.16 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -178.03 147.3 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 73.51 111.142 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.67 37.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 73.43 112.324 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.35 -44.72 58.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.883 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mt -90.01 -46.98 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.935 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -51.96 -33.58 38.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.23 95.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.23 111.091 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.3 -51.06 40.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.9 mmm -63.75 -32.45 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.1 110.917 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.57 -25.89 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.804 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.92 -44.56 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.58 -59.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 71.13 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.91 33.75 12.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 72.05 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.83 -161.69 5.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 45.52 112.537 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.0 -179.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 75.02 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -76.79 34.99 0.15 Allowed 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 126.977 2.111 . . . . 73.11 114.801 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -79.08 -172.81 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 120.936 -1.102 . . . . 70.04 111.193 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.37 156.76 1.91 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 74.22 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.752 2.301 . . . . 70.32 112.358 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.37 113.0 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.05 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 32.8 mm -89.95 141.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.043 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -142.95 131.74 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.894 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 2.5 mm -129.7 104.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 74.11 111.064 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.93 -89.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.681 -0.771 . . . . 73.23 112.5 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.25 24.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 74.23 110.82 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.3 149.65 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.7 124.44 48.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.872 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 96.8 t -124.43 123.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 70.22 111.1 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -37.45 35.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 52.02 112.523 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.0 -146.14 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 62.51 112.521 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 39.8 t -58.28 -22.71 53.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 75.1 110.827 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.9 -59.1 4.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.85 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.94 -35.26 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 44.55 110.849 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -51.84 -45.9 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.907 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.03 -28.33 54.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.918 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.79 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.045 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.95 -39.59 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.39 -36.49 75.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 74.53 110.892 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -56.45 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -66.07 -21.03 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.852 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.46 35.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 75.02 112.509 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -77.26 -14.85 59.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 75.54 110.94 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.78 -36.26 36.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.875 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.33 -65.02 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.953 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.11 -17.79 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.879 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.74 -51.87 13.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.16 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 75.43 110.984 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -40.15 13.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.923 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -139.57 -41.1 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.102 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.51 65.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 65.01 112.514 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 149.4 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 71.34 110.828 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.896 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 tt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 116.974 -1.488 . . . . 75.31 110.702 179.131 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 71.14 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.35 55.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 60.44 110.814 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.44 150.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.123 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.6 mp -136.02 151.54 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 70.41 111.144 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' HZ1' ' A' ' 23' ' ' LYS . 11.2 tt -136.06 135.33 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.135 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.4 m-85 -91.68 106.72 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 72.25 110.935 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.95 146.14 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 42.23 111.111 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.1 160.73 81.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 64.43 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 78.22 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 70.15 112.305 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.51 105.42 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 73.43 112.462 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.257 31.7 m 147.08 -28.51 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 131.147 3.779 . . . . 65.3 120.966 164.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.22 -10.88 27.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 113.555 -3.83 . . . . 74.11 112.329 162.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 69.81 64.06 0.24 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.333 1.453 . . . . 73.5 110.99 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.23 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.818 -0.551 . . . . 42.41 110.917 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.36 -22.25 60.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 34.4 111.108 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.72 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 53.52 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HZ1' HG21 ' A' ' 10' ' ' ILE . 8.7 mmtp -76.57 -27.84 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 73.04 110.944 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB3' ' OH ' ' A' ' 74' ' ' TYR . . . -52.33 -45.65 65.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.122 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD23 HD21 ' A' ' 73' ' ' LEU . 11.0 tp -76.1 -52.24 10.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 65.05 110.893 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.709 HD13 ' CD2' ' A' ' 33' ' ' PHE . 8.9 mt -51.64 -30.31 21.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 62.51 110.91 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -37.16 62.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.069 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.41 -24.07 63.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 54.14 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.748 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 2.4 ptpt -111.74 4.66 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.828 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.93 30.95 31.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 63.04 112.441 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . . . -74.25 167.89 20.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 74.22 111.061 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.11 146.57 26.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.907 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.709 ' CD2' HD13 ' A' ' 26' ' ' LEU . 8.9 p90 -150.87 146.54 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 75.04 110.891 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.42 122.61 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -77.16 157.68 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.01 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 9' ' ' ILE . 79.8 mt -135.61 117.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.42 111.127 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.87 106.6 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.86 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.3 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.064 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.18 25.77 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 51.22 110.928 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.57 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.3 111.099 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.537 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -129.17 147.92 66.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 74.24 111.172 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -15.2 37.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.739 2.293 . . . . 72.5 112.347 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.3 -40.98 57.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.883 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.537 HD12 ' CG2' ' A' ' 41' ' ' THR . 18.0 mt -89.11 -46.57 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.933 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -52.0 -46.37 64.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 64.43 110.833 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.8 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 73.41 111.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.72 -58.31 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 64.54 110.846 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.19 -25.17 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 72.03 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.61 67.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.07 -41.93 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.885 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -89.86 10.04 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.37 152.62 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 74.05 110.915 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.46 118.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 70.3 112.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . 2.6 mpp_? 58.32 23.93 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 71.44 110.854 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.1 45.04 1.61 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.536 1.772 . . . . 71.42 109.888 -175.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -53.96 175.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 112.243 -2.253 . . . . 63.33 111.17 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.39 157.05 1.8 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 63.21 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.69 2.01 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.74 2.294 . . . . 50.22 112.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -109.72 149.45 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.412 HD13 HG13 ' A' ' 10' ' ' ILE . 41.1 mm -112.35 147.22 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.45 111.116 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.912 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 89' ' ' GLY . 2.1 pt -121.54 108.02 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.178 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.1 -116.25 6.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 74.43 112.508 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 m -107.86 26.52 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 71.3 110.873 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.1 t -121.5 144.41 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 62.15 111.143 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -97.26 152.9 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 69' ' ' GLY . 57.3 t -140.1 131.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 70.53 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.63 -30.78 28.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 62.24 112.52 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.727 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 136.21 -134.77 7.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.721 . . . . 60.23 112.477 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.467 ' HG ' ' HD2' ' A' ' 74' ' ' TYR . 2.2 t -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 63.32 110.866 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.75 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 63.04 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -43.5 35.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.667 HD21 HD23 ' A' ' 25' ' ' LEU . 1.4 tt -52.33 -40.71 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.916 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.627 ' OH ' ' HB3' ' A' ' 24' ' ' ALA . 9.1 m-85 -79.01 -40.74 30.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.903 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.51 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.11 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.23 -39.43 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.617 ' HA ' HD23 ' A' ' 82' ' ' LEU . 5.1 tm-20 -59.44 -29.92 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.52 110.87 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.09 -51.66 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.34 -29.97 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 55.23 110.86 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 46.14 1.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 65.03 112.484 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -129.81 26.52 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 73.31 110.924 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 29' ' ' LYS . 3.7 pp -90.1 -36.63 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 73.31 110.873 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.84 -62.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.867 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -15.6 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.852 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.3 tt -78.53 -49.04 14.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 53.23 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -76.55 -10.08 59.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.973 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -36.41 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.943 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -131.77 -46.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.218 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.535 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 86.62 65.87 1.39 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.699 -0.762 . . . . 72.33 112.454 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.5 164.62 11.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 73.54 110.86 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.95 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.864 0.364 . . . . 71.14 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.33 55.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 60.44 110.83 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.45 150.14 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 72.1 111.138 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.6 mp -136.05 151.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 70.41 111.129 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.406 HG13 HD13 ' B' ' 60' ' ' ILE . 11.2 tt -136.07 135.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 75.12 111.112 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' B' ' 36' ' ' ILE . 12.4 m-85 -91.77 106.68 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.91 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.91 146.2 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 42.23 111.085 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.09 160.75 81.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 64.43 110.867 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 78.29 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.642 2.228 . . . . 70.15 112.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.5 104.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.455 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m 152.16 -29.99 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 N-CA-C 119.937 3.31 . . . . 65.3 119.937 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -72.67 -8.77 23.02 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 116.695 -1.736 . . . . 74.11 112.331 164.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 63.4 67.59 0.64 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.227 1.811 . . . . 73.5 111.8 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.089 0.956 . . . . 42.41 110.955 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -22.21 60.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 34.4 111.08 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.78 40.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.822 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.436 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -62.37 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 53.52 111.035 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -76.59 -27.84 55.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.402 . . . . 73.04 110.972 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.629 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -52.37 -45.66 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 65.23 111.086 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.659 HD23 HD21 ' B' ' 73' ' ' LEU . 11.1 tp -76.1 -52.2 10.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 65.05 110.922 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.712 HD13 ' CD2' ' B' ' 33' ' ' PHE . 8.9 mt -51.72 -30.27 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.897 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.15 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.08 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.45 -24.08 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 54.14 110.898 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.743 ' HD3' ' HB2' ' B' ' 31' ' ' ALA . 2.4 ptpt -111.7 4.68 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.863 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.92 30.91 30.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 63.04 112.496 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.743 ' HB2' ' HD3' ' B' ' 29' ' ' LYS . . . -74.21 167.85 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 74.22 111.1 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.07 146.56 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.939 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.712 ' CD2' HD13 ' B' ' 26' ' ' LEU . 8.9 p90 -150.84 146.55 26.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.878 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.41 122.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.18 157.7 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.834 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' B' ' 9' ' ' ILE . 79.8 mt -135.6 117.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.42 111.162 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.86 106.59 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.32 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 65.4 111.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.15 25.84 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 51.22 110.887 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.58 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 64.3 111.064 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.546 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -129.15 147.88 66.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 74.24 111.167 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -15.24 37.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 72.5 112.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.28 -40.9 58.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' B' ' 41' ' ' THR . 18.0 mt -89.17 -46.59 8.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 65.11 110.887 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -52.01 -46.41 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 64.43 110.804 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.72 92.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 73.41 111.125 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.76 -58.25 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 64.54 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.26 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.03 110.83 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.56 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.909 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.05 -41.99 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.853 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.91 10.12 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 74.45 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.43 152.65 21.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 74.05 110.879 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.41 118.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.41 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 54' ' ' ARG . 2.6 mpp_? 58.39 25.96 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 71.44 110.82 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 45.87 41.08 7.38 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.438 1.113 . . . . 71.42 108.352 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -57.63 175.41 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 63.33 111.188 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.36 157.05 1.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 63.21 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -177.67 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 50.22 112.359 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -109.69 149.44 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.03 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.406 HD13 HG13 ' B' ' 10' ' ' ILE . 40.9 mm -112.33 147.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.122 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.935 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.538 HD12 ' C ' ' B' ' 89' ' ' GLY . 2.1 pt -121.56 108.01 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.14 111.182 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.08 -116.29 6.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 74.43 112.437 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 40.8 m -107.84 26.53 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 71.3 110.815 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -121.46 144.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 62.15 111.153 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -97.36 152.91 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.722 HG12 ' H ' ' B' ' 69' ' ' GLY . 57.5 t -140.13 131.76 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.159 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -30.73 28.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.67 -0.776 . . . . 62.24 112.467 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.722 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 136.2 -134.76 7.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.816 -0.707 . . . . 60.23 112.483 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' SER . . . . . 0.539 ' HG ' ' HD2' ' B' ' 74' ' ' TYR . 2.2 t -65.83 -39.39 90.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 63.32 110.891 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.72 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 63.04 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.99 -43.44 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.822 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.659 HD21 HD23 ' B' ' 25' ' ' LEU . 1.3 tt -52.38 -40.68 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.629 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 9.1 m-85 -79.0 -40.7 30.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.925 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.58 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.147 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.18 -39.46 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.914 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.638 ' HA ' HD23 ' B' ' 82' ' ' LEU . 5.1 tm-20 -59.44 -29.93 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 64.52 110.848 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.07 -51.68 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 64.23 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.31 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 55.23 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 46.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 65.03 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -129.79 26.49 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 73.31 110.939 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.695 HD13 ' HE2' ' B' ' 29' ' ' LYS . 3.7 pp -90.04 -36.65 14.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 73.31 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.88 -62.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.849 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -15.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.836 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.412 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.2 tt -78.57 -49.04 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 53.23 110.905 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.412 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -76.5 -10.12 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 60.13 110.967 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -36.43 10.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 21.1 p -131.76 -46.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 62.41 111.155 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.538 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 86.67 65.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.475 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.47 164.57 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 73.54 110.918 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.415 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.4 OUTLIER -96.58 -20.52 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.52 110.958 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--O 1.243 0.734 0 O-C-N 120.082 -1.636 . . . . 71.15 110.465 178.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.649 HG21 ' O ' ' A' ' 88' ' ' THR . 29.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.796 0.332 . . . . 65.24 111.126 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.18 149.44 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 53.42 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 62' ' ' ILE . 61.5 t -84.22 132.87 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 36' ' ' ILE . 3.4 mp -130.85 146.26 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.142 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.48 HD11 ' CG ' ' A' ' 58' ' ' PRO . 12.9 tt -126.09 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.078 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.04 102.14 14.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.452 HG23 ' OE1' ' A' ' 35' ' ' GLU . 14.7 t -175.74 165.92 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 62.33 111.166 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -69.78 160.71 78.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.761 . . . . 73.53 110.816 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -15.9 37.11 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.41 112.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.68 100.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.659 -0.782 . . . . 30.35 112.455 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.662 ' HA ' ' NH2' ' B' ' 13' ' ' ARG . 4.7 m -177.37 -72.6 0.0 OUTLIER Pre-proline 0 C--N 1.295 -1.765 0 N-CA-C 108.92 -0.77 . . . . 73.41 108.92 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -62.5 -177.87 0.33 Allowed 'Trans proline' 0 C--N 1.326 -0.646 0 C-N-CA 124.484 3.456 . . . . 61.35 112.353 -176.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -97.18 59.61 1.62 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.186 0.993 . . . . 65.32 110.314 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.3 p -96.8 30.96 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.053 -1.029 . . . . 63.11 110.945 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.56 -25.78 33.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 34.04 111.145 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 26.1 mtt180 -66.44 -60.53 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -40.17 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.105 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.67 -25.61 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB3' ' OH ' ' A' ' 74' ' ' TYR . . . -51.73 -58.2 7.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 71.14 111.149 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.551 HD11 ' HG3' ' A' ' 77' ' ' GLU . 14.6 tp -62.72 -42.77 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.886 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.9 mt -57.11 -24.12 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.842 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 53.21 111.066 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.1 -26.9 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 54.03 110.791 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD3' HD13 ' A' ' 82' ' ' LEU . 1.3 ptpm? -119.2 15.7 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.909 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.49 28.28 20.6 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 33.53 112.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.747 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -62.76 160.75 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 63.23 111.081 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -96.89 147.11 24.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 26' ' ' LEU . 12.2 p90 -155.84 153.57 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.909 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.33 128.41 48.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.912 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE1' HG23 ' A' ' 12' ' ' THR . 8.9 mm-40 -83.79 159.4 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.901 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 9' ' ' ILE . 78.0 mt -139.65 107.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 72.04 111.217 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.87 105.48 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 73.52 110.957 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.36 178.44 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.4 111.107 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.35 26.25 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.44 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.0 -35.99 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.13 147.59 66.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 72.41 111.064 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -16.84 37.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 74.55 112.344 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.75 -42.17 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 70.43 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.89 -57.81 5.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.95 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.54 45.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.929 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.75 27.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 65.52 111.074 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.41 -29.74 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.46 -26.22 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 54.31 110.871 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.28 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -74.39 -40.75 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.53 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.15 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.35 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -53.11 132.63 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.797 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.93 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.472 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.58 157.69 28.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 73.43 110.855 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.43 26.01 10.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.696 0.76 . . . . 72.32 109.604 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.1 -43.12 35.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.108 -0.951 . . . . 61.35 111.123 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -139.57 157.3 70.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 73.43 110.932 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CG ' HD11 ' A' ' 10' ' ' ILE . 52.8 Cg_endo -69.73 179.58 3.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.733 2.288 . . . . 72.5 112.294 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -100.87 140.2 35.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 62.54 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.53 ' HB ' HG13 ' A' ' 67' ' ' VAL . 36.3 mm -112.94 143.19 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.114 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -129.38 142.47 50.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 pt -140.56 101.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.104 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.75 -114.75 5.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 43.32 112.479 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -109.01 28.15 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 71.04 110.905 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -124.68 144.76 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 71.44 111.074 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.81 143.54 36.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.55 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG13 ' HB ' ' A' ' 60' ' ' ILE . 7.6 p -145.29 144.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.33 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.11 -72.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.32 112.5 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.9 -147.99 8.38 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.754 -0.736 . . . . 53.22 112.473 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.2 -32.31 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 64.54 110.908 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.81 -48.55 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 71.42 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.11 -43.36 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 43.4 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 25' ' ' LEU . 1.8 tt -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 62.33 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 24' ' ' ALA . 5.3 m-85 -74.45 -40.81 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.896 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.56 85.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 54.33 111.19 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.74 -41.25 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 71.53 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 25' ' ' LEU . 6.4 tm-20 -59.4 -41.34 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 70.3 110.907 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.21 -52.88 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.45 -25.29 66.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.45 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.72 54.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.823 -0.703 . . . . 73.21 112.558 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -129.93 21.48 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.1 110.945 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 ' HD3' ' A' ' 29' ' ' LYS . 2.7 pp -90.08 -35.77 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 52.51 110.908 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -53.99 -48.11 70.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 60.14 110.868 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -25.92 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 74.33 110.849 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 62' ' ' ILE . 5.4 tt -68.06 -35.54 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 60.42 110.822 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.38 -11.8 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.931 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -27.92 16.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 53.24 110.864 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.6 t -150.24 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 74.55 111.228 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.44 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 96.58 85.89 1.77 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.403 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.89 140.51 52.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 71.11 110.863 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.651 HG21 ' O ' ' B' ' 88' ' ' THR . 29.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.821 0.343 . . . . 65.24 111.105 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.23 149.44 7.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 53.42 110.831 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.538 HG22 HG22 ' B' ' 62' ' ' ILE . 60.6 t -84.27 132.91 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.146 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.616 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -130.9 146.27 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 74.35 111.036 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.484 HD11 ' CG ' ' B' ' 58' ' ' PRO . 12.9 tt -126.12 135.74 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.32 111.147 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.89 102.05 14.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.442 HG23 ' OE1' ' B' ' 35' ' ' GLU . 14.7 t -175.71 165.94 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 62.33 111.204 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.662 ' NH2' ' HA ' ' A' ' 16' ' ' CYS . 22.7 mtt85 -69.88 160.79 78.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 73.53 110.883 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.94 37.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 64.41 112.322 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.7 107.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 30.35 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t 164.59 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 C-N-CA 126.253 1.821 . . . . 73.41 113.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.16 -174.98 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 CA-C-N 118.456 0.484 . . . . 61.35 112.325 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -104.09 56.6 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 119.711 -1.868 . . . . 65.32 109.366 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 p -90.83 30.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.062 -0.972 . . . . 63.11 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.51 -25.83 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 34.04 111.156 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 26.2 mtt180 -66.44 -60.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.54 110.89 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.21 60.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.145 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.49 -25.72 57.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.946 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -51.68 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.151 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.563 HD11 ' HG3' ' B' ' 77' ' ' GLU . 14.6 tp -62.75 -42.83 99.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.834 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' B' ' 31' ' ' ALA . 14.0 mt -56.96 -24.18 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.3 110.927 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 53.21 111.098 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.04 -26.89 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 54.03 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.533 ' HD3' HD13 ' B' ' 82' ' ' LEU . 1.3 ptpm? -119.29 15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.889 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.51 28.26 20.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 33.53 112.507 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.78 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -62.79 160.75 13.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 63.23 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -96.92 147.04 24.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.872 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' B' ' 26' ' ' LEU . 12.0 p90 -155.74 153.62 30.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 64.13 110.853 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.39 128.41 48.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 75.22 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.442 ' OE1' HG23 ' B' ' 12' ' ' THR . 8.9 mm-40 -83.79 159.41 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.95 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.616 HD11 HG21 ' B' ' 9' ' ' ILE . 78.3 mt -139.63 108.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 72.04 111.188 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.84 105.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.929 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.43 178.4 6.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 62.4 111.139 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.31 26.34 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.82 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.03 -35.99 3.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.123 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.09 147.52 66.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.534 0.683 . . . . 72.41 111.151 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -16.78 37.85 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 74.55 112.374 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -75.8 -42.21 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.43 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.91 -57.75 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 73.02 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -26.57 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.936 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -50.67 28.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 65.52 111.121 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.47 -29.76 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.851 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.35 -26.2 21.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 54.31 110.903 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.3 69.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.54 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -74.45 -40.69 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 63.53 110.823 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.08 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 62.35 110.841 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -53.03 132.63 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 63.15 110.926 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.89 -75.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 63.14 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.55 154.61 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 73.43 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -112.83 27.3 9.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.932 0.396 . . . . 72.32 110.287 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -42.97 26.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.891 0.376 . . . . 61.35 111.118 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -139.64 157.3 70.36 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.617 0.722 . . . . 73.43 110.87 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.484 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 72.5 112.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -100.89 140.29 35.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 62.54 110.897 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.538 ' HB ' HG13 ' B' ' 67' ' ' VAL . 36.2 mm -112.95 143.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.53 111.131 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.34 142.48 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.538 HG22 HG22 ' B' ' 8' ' ' VAL . 2.4 pt -140.58 101.47 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 72.41 111.055 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.65 -114.62 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 43.32 112.515 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.7 m -109.09 27.99 8.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.917 0.389 . . . . 71.04 110.816 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -124.56 144.84 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 71.44 111.122 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.77 143.5 36.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.896 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.538 HG13 ' HB ' ' B' ' 60' ' ' ILE . 7.5 p -145.37 144.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 54.33 111.113 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.17 -72.55 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 54.32 112.461 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.95 -147.95 8.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 53.22 112.422 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.28 -32.12 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 64.54 110.823 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -55.07 -48.47 73.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.42 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.09 -43.35 15.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 43.4 110.893 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.516 HD21 HD23 ' B' ' 25' ' ' LEU . 1.9 tt -51.69 -35.85 44.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 62.33 110.919 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.477 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 5.3 m-85 -74.44 -40.81 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.879 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.51 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 54.33 111.182 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.73 -41.2 73.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.53 110.961 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.563 ' HG3' HD11 ' B' ' 25' ' ' LEU . 6.4 tm-20 -59.38 -41.43 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 70.3 110.878 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.2 -52.83 62.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.843 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.52 -25.27 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 72.45 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.78 54.75 1.38 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.793 -0.717 . . . . 73.21 112.58 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -130.03 21.53 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.729 0.3 . . . . 74.1 110.867 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.533 HD13 ' HD3' ' B' ' 29' ' ' LYS . 2.7 pp -90.12 -35.77 15.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 52.51 110.898 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -53.9 -48.22 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 60.14 110.83 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -25.93 42.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.838 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.469 ' HG ' HG21 ' B' ' 62' ' ' ILE . 5.5 tt -67.95 -35.48 78.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 60.42 110.99 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.55 -11.62 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.885 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 -27.99 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 53.24 110.893 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.651 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.6 t -150.27 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 74.55 111.199 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.438 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 96.52 85.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.33 112.471 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.85 140.42 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 71.11 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 107.041 -1.466 . . . . 50.23 107.041 -177.49 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 74.03 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.34 146.03 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.831 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 62' ' ' ILE . 21.0 t -95.37 150.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.138 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' ILE . 3.4 mp -139.82 152.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.53 111.172 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.732 HD11 ' CG ' ' A' ' 58' ' ' PRO . 14.1 tt -132.49 136.33 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.141 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.492 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.7 m-85 -98.89 99.59 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.95 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.01 175.86 1.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.184 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -61.79 160.82 25.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 63.21 110.842 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.64 -13.66 35.3 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 64.21 112.325 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.1 109.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.659 -0.781 . . . . 74.42 112.454 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.696 ' CA ' HH21 ' B' ' 13' ' ' ARG . 0.1 OUTLIER 174.0 -78.64 0.0 OUTLIER Pre-proline 0 N--CA 1.423 -1.785 0 N-CA-C 104.302 -2.481 . . . . 75.02 104.302 178.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -53.21 175.93 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.383 2.722 . . . . 72.13 112.35 -173.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -86.55 93.57 9.22 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.72 -1.863 . . . . 74.53 107.83 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -131.76 32.82 4.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.084 -1.871 . . . . 75.22 110.822 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -22.69 31.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.2 -49.69 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.81 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.1 111.133 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.04 -25.07 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 65.35 110.896 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.52 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 43.23 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD2' HD21 ' A' ' 73' ' ' LEU . 21.2 tp -53.08 -45.57 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.97 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.724 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.7 mt -58.0 -23.09 52.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.898 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.9 -19.82 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 65.32 111.171 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.25 49.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.912 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 1.1 ptpm? -119.11 15.61 13.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 55.01 110.823 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.82 22.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 70.14 112.454 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -63.01 169.83 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 63.33 111.061 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 159.05 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.824 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.91 151.29 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -134.48 124.73 26.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 70.51 110.918 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.07 156.98 28.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 64.21 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.613 HG22 HD21 ' A' ' 44' ' ' LEU . 24.8 mt -137.23 109.98 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 65.32 111.082 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.17 113.79 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.819 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.57 -179.65 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 62.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.74 23.46 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.796 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.69 9.79 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 51.12 111.05 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.56 148.67 2.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 74.42 111.136 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -11.94 31.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 72.21 112.374 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 63.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.613 HD21 HG22 ' A' ' 36' ' ' ILE . 8.4 mp -62.19 -55.31 29.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.913 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -51.63 -42.41 62.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.925 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.44 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 61.12 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.68 -60.35 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.903 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.8 -26.22 63.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.92 -26.1 66.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.931 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.05 -40.52 61.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.91 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.65 -50.2 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.85 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.47 48.57 14.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.876 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.09 174.67 39.05 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.731 -0.747 . . . . 72.1 112.434 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.52 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 60.11 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.44 44.83 0.62 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.971 0.909 . . . . 54.42 111.997 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p -80.3 -172.12 3.35 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 120.453 -1.405 . . . . 70.52 111.165 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.63 156.91 2.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.747 0.784 . . . . 55.23 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.732 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.77 169.02 19.9 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.634 2.222 . . . . 52.42 112.285 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.59 140.63 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.24 110.9 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mm -107.85 144.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.35 111.148 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.77 106.58 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.863 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.614 HG22 HG22 ' A' ' 8' ' ' VAL . 11.1 pt -116.92 125.82 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.35 111.061 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.89 39.61 62.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 74.31 112.463 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.33 21.78 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 62.32 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.556 ' CG1' HD23 ' A' ' 91' ' ' LEU . 26.3 t -102.54 146.28 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 74.53 111.234 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.92 129.47 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.894 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 69' ' ' GLY . 58.8 t -130.82 131.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.103 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.2 36.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 70.51 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.516 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 145.67 -148.51 20.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 70.31 112.525 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -61.24 -37.4 82.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 73.45 110.862 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.83 -43.02 63.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.94 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.19 -45.2 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 74.05 110.964 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -51.82 -41.86 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.998 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.45 -42.86 70.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 75.23 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.13 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 44.3 111.062 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.7 -44.21 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 72.44 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' HD11 ' A' ' 25' ' ' LEU . 4.0 tm-20 -61.08 -39.64 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.834 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.93 -49.52 72.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 55.34 110.871 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -65.84 -26.82 67.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.888 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.42 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -127.8 23.99 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 71.04 110.75 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.02 -39.57 61.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.332 -0.394 . . . . 75.21 110.922 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.24 -51.11 63.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.3 110.952 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -27.83 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.819 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -67.03 -41.33 86.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.952 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.65 -19.87 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.949 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.11 -24.26 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 64.45 110.852 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.5 p -147.94 -53.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.126 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 104.68 110.46 3.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 62.51 112.529 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -134.46 127.68 31.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 72.02 110.94 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.556 HD23 ' CG1' ' A' ' 65' ' ' VAL . 2.0 pp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.99 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 74.03 111.155 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.39 146.01 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 75.22 110.874 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.609 HG22 HG22 ' B' ' 62' ' ' ILE . 21.2 t -95.31 150.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 75.45 111.097 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.472 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -139.87 152.99 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.53 111.175 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.714 HD11 ' CG ' ' B' ' 58' ' ' PRO . 14.1 tt -132.45 136.28 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 64.21 111.197 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.491 ' CD1' HD12 ' B' ' 36' ' ' ILE . 12.6 m-85 -98.9 99.63 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.936 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.0 175.84 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 63.34 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.696 HH21 ' CA ' ' A' ' 16' ' ' CYS . 34.0 mtt85 -61.8 160.83 25.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 63.21 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -13.67 35.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.285 . . . . 64.21 112.4 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.14 108.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.652 -0.785 . . . . 74.42 112.431 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.612 ' HB2' ' HD3' ' B' ' 17' ' ' PRO . 93.5 m 172.72 -58.19 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 O-C-N 119.536 -2.155 . . . . 75.02 109.081 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.79 176.16 7.94 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.676 1.584 . . . . 72.13 112.39 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -78.34 88.23 4.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.147 0.498 . . . . 74.53 111.214 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.92 32.91 3.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.828 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -22.6 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.113 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -63.23 -49.71 73.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.821 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.85 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.1 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.06 -24.98 66.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 65.35 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.55 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 43.23 111.135 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.488 HD23 HD21 ' B' ' 73' ' ' LEU . 20.8 tp -53.04 -45.67 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 70.44 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' B' ' 31' ' ' ALA . 13.6 mt -58.0 -23.04 52.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.911 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.94 -19.85 24.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 65.32 111.152 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -27.2 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.912 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 1.1 ptpm? -119.12 15.58 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 55.01 110.885 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.92 22.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 70.14 112.439 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.734 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -63.06 169.85 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 63.33 111.104 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.33 159.02 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -169.9 151.3 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -134.5 124.69 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 70.51 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.02 156.93 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.21 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.644 HG22 HD21 ' B' ' 44' ' ' LEU . 24.7 mt -137.15 110.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 65.32 111.133 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.15 113.82 6.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.807 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.61 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 62.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.63 23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.836 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.66 9.8 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 51.12 111.077 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.57 148.67 2.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 74.42 111.152 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.95 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.289 . . . . 72.21 112.319 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.92 -55.82 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 63.31 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.644 HD21 HG22 ' B' ' 36' ' ' ILE . 8.4 mp -62.17 -55.24 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 71.21 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -51.7 -42.43 62.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.904 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.4 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.12 111.117 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.72 -60.36 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.76 -26.3 63.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 72.43 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.85 -26.11 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.3 110.889 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.56 -50.33 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.846 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.54 48.55 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.54 39.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 72.1 112.462 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.39 -172.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 60.11 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -85.1 54.8 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.262 -1.524 . . . . 54.42 111.592 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -80.73 -172.05 3.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.653 -1.158 . . . . 70.52 111.184 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.7 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.732 0.777 . . . . 55.23 110.811 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.714 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.6 Cg_endo -69.68 168.97 19.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 52.42 112.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.57 140.61 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.82 144.23 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 75.35 111.23 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.69 106.53 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.609 HG22 HG22 ' B' ' 8' ' ' VAL . 11.2 pt -116.88 125.85 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.35 111.086 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.85 39.67 62.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.31 112.442 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.34 21.72 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 62.32 110.832 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.542 ' CG1' HD23 ' B' ' 91' ' ' LEU . 26.7 t -102.5 146.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 74.53 111.137 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.97 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.502 HG12 ' H ' ' B' ' 69' ' ' GLY . 59.0 t -130.77 131.42 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.175 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.09 36.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 70.51 112.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.502 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 145.63 -148.48 20.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.573 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 96.7 p -61.23 -37.46 83.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.367 . . . . 73.45 110.857 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.76 -43.09 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.874 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.25 -45.22 11.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.877 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.488 HD21 HD23 ' B' ' 25' ' ' LEU . 1.1 tt -51.73 -41.9 61.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.48 -42.86 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.11 69.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 44.3 111.082 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.63 -44.28 94.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.479 ' HG3' HD11 ' B' ' 25' ' ' LEU . 4.0 tm-20 -61.04 -39.63 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.86 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.06 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 55.34 110.765 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -65.78 -26.83 67.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.956 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.48 2.01 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.83 -0.7 . . . . 64.11 112.503 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -127.78 23.87 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 71.04 110.798 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.06 -39.42 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.21 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.31 -51.22 63.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 73.3 110.897 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -27.84 65.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' B' ' 62' ' ' ILE . 0.7 OUTLIER -66.99 -41.39 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 64.22 110.972 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.63 -19.88 25.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.16 -24.13 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.874 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 68.6 p -148.0 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 63.03 111.168 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.455 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 104.71 110.48 3.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 62.51 112.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' B' ' 92' ' ' ILE . 16.7 tppt? -134.47 127.57 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 72.02 110.933 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.542 HD23 ' CG1' ' B' ' 65' ' ' VAL . 2.0 pp -61.36 -30.19 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 72.11 110.894 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.408 ' H ' ' HG3' ' B' ' 90' ' ' LYS . 18.7 tt . . . . . 0 N--CA 1.489 1.486 0 O-C-N 116.82 -3.675 . . . . 73.3 117.111 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 54.22 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -153.69 136.72 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.828 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.52 138.74 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.14 111.119 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.652 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.5 mp -139.44 150.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 53.35 111.143 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' CE ' ' A' ' 23' ' ' LYS . 20.8 tt -137.63 136.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.105 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CD1' HD12 ' A' ' 36' ' ' ILE . 10.5 m-85 -90.86 116.03 28.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.631 HG21 ' SG ' ' A' ' 19' ' ' CYS . 2.3 t 179.75 158.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 64.34 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.47 160.64 81.91 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 72.03 110.884 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 78.47 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.576 2.184 . . . . 64.54 112.422 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 101.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 24.24 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.624 ' HB3' ' CZ ' ' B' ' 13' ' ' ARG . 0.5 OUTLIER 167.58 -48.98 0.0 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 118.319 2.711 . . . . 74.44 118.319 178.315 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD3' ' SG ' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -72.77 -168.81 0.43 Allowed 'Trans proline' 0 C--N 1.332 -0.313 0 C-N-CA 120.56 0.84 . . . . 71.34 112.35 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -90.57 63.42 5.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.39 1.091 . . . . 75.3 109.812 -174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.631 ' SG ' HG21 ' A' ' 12' ' ' THR . 7.4 t -109.22 32.99 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.137 -0.938 . . . . 74.12 110.857 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -90.21 -23.04 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 61.22 111.061 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -77.81 -57.13 3.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.42 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 64.55 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' HG21 ' A' ' 10' ' ' ILE . 7.7 mmtp -66.46 -36.64 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.839 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -51.66 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.21 111.123 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.711 HD11 ' HG3' ' A' ' 77' ' ' GLU . 16.7 tp -56.74 -48.04 78.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.32 110.877 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.6 mt -55.94 -25.52 43.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.936 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -22.76 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.159 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.9 -28.04 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.946 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 13.4 ptpt -111.93 14.25 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.31 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.97 28.01 23.49 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.62 -0.8 . . . . 72.42 112.512 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -71.13 156.27 39.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 60.42 111.137 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.93 146.63 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 73.34 110.865 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.04 152.94 30.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -128.16 128.82 45.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.22 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.76 160.09 24.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.652 HD11 ' CG2' ' A' ' 9' ' ' ILE . 53.3 mt -136.89 123.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 71.14 111.094 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.01 105.13 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.803 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.24 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.37 23.54 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.86 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.56 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 73.43 111.054 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.424 HG23 HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -141.13 154.6 68.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 74.43 111.131 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.651 2.234 . . . . 61.04 112.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.26 -44.56 83.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.876 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.0 mm? -88.06 -47.93 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.931 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.95 -30.22 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.796 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.2 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.064 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -64.75 -44.15 91.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 53.2 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.07 -26.1 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.3 110.854 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -63.24 -26.07 68.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 61.25 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.17 -40.94 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.55 10.16 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.962 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 t -52.96 112.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 71.13 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.99 -56.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 65.15 112.529 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -133.34 139.44 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 75.34 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -125.02 36.47 4.59 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 117.218 -3.427 . . . . 75.24 107.711 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -71.49 -51.06 25.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.24 -1.345 . . . . 74.13 111.133 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.21 157.62 55.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 62.53 110.923 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 175.82 7.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 75.32 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.32 124.49 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 62.44 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.1 mm -89.94 150.17 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 63.04 111.22 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -139.48 140.89 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 65.52 110.935 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' C ' ' A' ' 89' ' ' GLY . 1.2 pt -147.06 115.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.089 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.43 -116.89 6.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 73.02 112.529 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.32 25.84 11.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 72.41 110.815 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.0 t -113.03 143.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 65.42 111.142 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -109.97 116.67 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.891 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -140.77 89.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 65.14 111.083 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.04 112.447 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.67 111.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 42.51 112.513 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -53.4 -30.57 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 55.04 110.818 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -74.39 -32.18 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.916 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -67.96 -36.81 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.807 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.95 -38.32 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 63.52 110.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.56 -34.77 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.3 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 62.04 111.057 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.3 -41.33 84.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.711 ' HG3' HD11 ' A' ' 25' ' ' LEU . 3.2 tm-20 -62.03 -40.01 94.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.893 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.39 -54.86 26.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.777 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.08 -26.26 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.848 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.01 48.35 2.09 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.819 -0.705 . . . . 61.3 112.466 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.45 25.81 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 73.01 110.982 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.09 -35.75 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.3 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.8 -49.67 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 72.42 110.894 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.88 -26.22 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.815 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.78 -47.56 74.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.972 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.83 60.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.822 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.12 -37.22 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.936 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.71 -41.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 75.34 111.168 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.477 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 109.45 111.27 3.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 71.24 112.521 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.73 147.01 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 72.23 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 74.43 110.923 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.826 0.346 . . . . 54.22 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.65 136.69 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.34 110.878 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -87.37 138.76 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 64.14 111.16 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.645 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.5 mp -139.46 150.77 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 53.35 111.131 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.429 HG21 ' CE ' ' B' ' 23' ' ' LYS . 20.7 tt -137.67 136.76 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.145 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' B' ' 36' ' ' ILE . 10.4 m-85 -90.9 116.1 28.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.865 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.636 HG21 ' SG ' ' B' ' 19' ' ' CYS . 2.3 t 179.65 158.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 64.34 111.194 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.28 160.63 82.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 72.03 110.807 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.47 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.581 2.188 . . . . 64.54 112.434 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.4 105.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.728 -0.749 . . . . 24.24 112.515 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.323 7.7 p 156.37 -37.59 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 C-N-CA 129.367 3.067 . . . . 74.44 117.133 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.87 -174.11 0.87 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 116.69 -1.74 . . . . 71.34 112.353 168.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -79.01 66.84 4.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.234 1.016 . . . . 75.3 111.705 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.636 ' SG ' HG21 ' B' ' 12' ' ' THR . 7.4 t -114.57 32.95 5.62 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.484 -0.76 . . . . 74.12 110.856 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' B' ' 24' ' ' ALA . . . -90.08 -23.06 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.22 111.107 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -77.88 -56.99 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.943 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -46.39 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 64.55 111.103 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.429 ' CE ' HG21 ' B' ' 10' ' ' ILE . 7.7 mmtp -66.41 -36.61 83.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 71.25 110.915 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -51.71 -59.79 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.067 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.716 HD11 ' HG3' ' B' ' 77' ' ' GLU . 16.7 tp -56.81 -47.89 79.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.918 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' B' ' 31' ' ' ALA . 13.6 mt -55.96 -25.54 44.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.928 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.77 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.2 111.157 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.86 -28.1 58.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 62.14 110.91 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 13.4 ptpt -111.88 14.2 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.828 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 28.13 23.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 72.42 112.527 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.501 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -71.15 156.26 39.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 60.42 111.168 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -93.93 146.58 23.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.814 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.05 153.02 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.857 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -128.1 128.88 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 70.22 110.92 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.83 160.07 24.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 75.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.645 HD11 ' CG2' ' B' ' 9' ' ' ILE . 53.8 mt -136.93 123.96 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 71.14 111.117 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.96 105.09 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.26 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.067 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.39 23.46 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.9 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.05 -35.48 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.071 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.42 HG23 HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -141.09 154.6 68.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 74.43 111.144 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -8.14 22.85 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.772 2.314 . . . . 61.04 112.355 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.3 -44.48 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 44' ' ' LEU . 2.0 mm? -88.17 -47.85 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.937 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -52.07 -30.18 24.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 71.02 110.776 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 71.34 111.17 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.78 -44.26 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.2 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.01 -26.06 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 73.3 110.938 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -63.26 -26.09 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 61.25 110.982 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.11 -40.92 19.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 63.32 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.56 10.18 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -52.96 112.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 71.13 110.834 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.02 -56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 65.15 112.463 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -133.27 141.01 47.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.367 . . . . 75.34 110.864 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -113.21 16.1 19.22 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 125.135 1.522 . . . . 75.24 111.468 -174.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -77.22 -51.0 11.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.168 -172.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.22 157.7 55.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 62.53 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.88 175.79 7.73 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.716 2.277 . . . . 75.32 112.272 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.25 124.48 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 62.44 110.95 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.9 150.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 63.04 111.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -139.5 140.91 37.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 65.52 110.999 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.48 HD12 ' C ' ' B' ' 89' ' ' GLY . 1.2 pt -147.14 115.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.114 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.35 -116.85 6.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 73.02 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.28 25.87 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 72.41 110.8 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.94 143.54 22.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.42 111.166 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -110.12 116.64 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -140.72 89.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.492 . . . . 65.14 111.093 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.71 81.63 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 73.04 112.448 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.68 111.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.85 -0.69 . . . . 42.51 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 62.0 p -53.35 -30.56 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 55.04 110.825 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.42 -32.14 62.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.96 -36.87 80.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 74.11 110.751 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.99 -38.31 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 63.52 110.911 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.54 -34.75 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.25 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 62.04 111.111 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.38 -41.29 84.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.892 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.716 ' HG3' HD11 ' B' ' 25' ' ' LEU . 3.2 tm-20 -62.01 -40.07 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.924 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.31 -54.88 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.843 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.13 -26.12 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.854 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.91 48.37 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.802 -0.713 . . . . 61.3 112.534 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.52 25.86 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 73.01 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.12 -35.79 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 62.3 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.73 -49.74 61.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.86 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.82 -26.28 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.815 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.68 -47.68 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.7 60.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 71.21 110.906 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -37.26 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.864 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.69 -41.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 111.12 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.48 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 109.44 111.18 3.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 71.24 112.497 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 72.23 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.406 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.4 OUTLIER -87.98 -31.76 19.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 74.43 110.948 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.255 1.372 0 N-CA-C 105.189 -2.152 . . . . 75.3 105.189 -171.527 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 73.24 111.135 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -128.77 147.56 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 53.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.419 HG22 HG23 ' A' ' 62' ' ' ILE . 18.5 t -87.75 130.99 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.123 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 36' ' ' ILE . 3.6 mp -127.62 151.03 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 62.25 111.121 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.66 137.44 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 72.02 111.141 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.72 107.58 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 74.15 110.935 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.648 HG21 ' SG ' ' A' ' 19' ' ' CYS . 14.7 t -175.68 160.57 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.14 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -78.92 161.94 66.75 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 107.53 -1.285 . . . . 74.1 107.53 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.01 -8.96 25.03 Favored 'Trans proline' 0 C--N 1.355 0.899 1 C-N-CA 128.481 6.121 . . . . 50.41 112.412 -176.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.58 105.63 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.656 -0.783 . . . . 73.54 112.528 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 159.49 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.77 0 C-N-CA 129.087 2.955 . . . . 51.02 115.946 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.3 178.26 4.46 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 116.785 -1.677 . . . . 75.42 112.383 172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -89.73 63.19 6.06 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.947 -1.096 . . . . 64.14 112.159 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.648 ' SG ' HG21 ' A' ' 12' ' ' THR . 7.7 t -91.63 36.65 0.95 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.055 -1.028 . . . . 50.12 110.975 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -90.0 -24.63 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 72.04 111.067 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.52 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 55.45 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -60.54 -37.59 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 63.33 111.071 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.76 -24.68 41.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 74.53 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -54.68 -53.82 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 60.13 111.185 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.659 HD22 HD21 ' A' ' 73' ' ' LEU . 2.2 tt -70.37 -48.18 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 25' ' ' LEU . 15.9 mt -51.79 -42.18 62.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 51.53 110.923 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.09 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.32 111.15 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.42 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 64.31 110.923 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.606 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.4 mtmp? -107.01 -16.01 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 74.51 110.843 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.06 79.04 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.748 -0.739 . . . . 72.13 112.467 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.25 156.69 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 70.2 111.132 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -93.94 125.22 38.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.913 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.33 152.6 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 65.43 110.959 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -127.58 128.43 45.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.94 156.83 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 71.45 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 9' ' ' ILE . 72.1 mt -139.04 139.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 74.12 111.203 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.96 95.27 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.8 180.0 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.986 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.3 21.24 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.854 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.39 -4.6 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 64.3 111.122 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.433 HG23 HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -174.03 152.14 1.85 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 22.41 111.209 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.68 -8.12 22.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 74.42 112.38 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -47.35 76.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.42 . . . . 71.4 110.82 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -86.17 -47.03 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.883 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.45 -30.07 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -57.17 -56.08 26.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 25.13 111.043 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.75 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.904 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.1 ttm -63.25 -25.43 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 61.02 110.858 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.59 -25.7 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 64.53 110.903 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.61 -54.06 46.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.892 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.46 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 p 58.73 26.35 14.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.87 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.33 -142.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 74.34 112.441 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.25 158.09 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 72.13 110.818 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.39 20.97 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.539 0.685 . . . . 62.32 110.521 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 p -69.33 -34.83 75.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.433 -0.792 . . . . 60.24 111.159 -177.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -128.86 157.38 75.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 70.33 110.983 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.0 29.0 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 72.14 112.296 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -90.2 123.87 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.63 144.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.31 111.076 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 147.01 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.742 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.3 mt -145.39 118.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 60.44 111.122 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.38 -99.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 22.52 112.487 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.89 32.26 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 71.01 110.761 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 62' ' ' ILE . 7.1 p -116.45 150.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.7 128.47 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -131.53 124.32 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 53.24 111.129 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.6 -83.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 51.42 112.487 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.58 12.41 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.725 -0.75 . . . . 70.34 112.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -52.36 -30.17 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 41.31 110.932 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.02 -41.47 62.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.32 110.801 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.34 -46.41 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.659 HD21 HD22 ' A' ' 25' ' ' LEU . 1.9 tt -52.07 -40.43 61.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.942 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -70.92 -40.9 71.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.77 69.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.54 111.034 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.07 -41.8 88.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.952 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' CD ' HD12 ' A' ' 25' ' ' LEU . 35.8 tt0 -57.53 -30.2 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.844 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -50.01 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 62.34 110.919 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.24 -26.76 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 71.22 110.895 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.07 46.17 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.527 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.88 28.85 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 74.31 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.8 pp -87.85 -37.95 16.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 53.21 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.2 t0 -54.74 -57.24 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.896 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -68.54 -20.43 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.1 tt -73.72 -49.09 27.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 62.12 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.4 pp -74.93 -16.33 60.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -40.22 11.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 62.41 110.986 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.63 -46.86 1.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.098 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.01 108.89 2.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 75.34 112.434 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -142.42 149.47 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 51.14 110.905 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 53.13 110.954 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.773 0.32 . . . . 73.24 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -128.76 147.55 50.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.422 HG22 HG23 ' B' ' 62' ' ' ILE . 18.6 t -87.77 131.0 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.421 HG21 HD11 ' B' ' 36' ' ' ILE . 3.6 mp -127.56 150.99 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 62.25 111.19 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.61 137.4 35.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 72.02 111.166 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.81 107.61 19.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.892 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.638 HG21 ' SG ' ' B' ' 19' ' ' CYS . 14.7 t -175.67 164.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.135 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.55 159.7 60.68 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 106.791 -1.559 . . . . 74.1 106.791 -175.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.4 -8.73 22.99 Favored 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 127.634 5.556 . . . . 50.41 112.369 -175.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.54 106.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 73.54 112.475 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 t 159.67 -49.58 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 C-N-CA 127.616 2.366 . . . . 51.02 116.008 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.13 179.07 2.08 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 116.54 -1.84 . . . . 75.42 112.371 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.39 76.75 5.16 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.186 -1.413 . . . . 64.14 107.186 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.638 ' SG ' HG21 ' B' ' 12' ' ' THR . 7.8 t -103.06 36.7 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.601 . . . . 50.12 110.934 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' B' ' 24' ' ' ALA . . . -89.96 -24.6 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.04 111.146 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.54 -53.23 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 55.45 110.861 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.417 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -60.45 -37.64 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 63.33 111.15 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.75 -24.73 41.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -54.64 -53.77 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 60.13 111.153 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.664 HD22 HD21 ' B' ' 73' ' ' LEU . 2.2 tt -70.44 -48.23 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.874 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.487 ' N ' HD23 ' B' ' 25' ' ' LEU . 15.8 mt -51.83 -42.2 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 51.53 110.844 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.64 -33.94 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 73.32 111.179 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -25.48 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.31 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.599 ' HD2' HD13 ' B' ' 82' ' ' LEU . 4.4 mtmp? -106.95 -16.09 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.32 11.02 79.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 72.13 112.486 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.21 156.72 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 70.2 111.069 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -94.01 125.23 38.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.868 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.32 152.65 48.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 65.43 110.892 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.6 128.47 45.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.93 156.78 19.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.421 HD11 HG21 ' B' ' 9' ' ' ILE . 72.2 mt -139.02 139.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.166 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.98 95.24 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.858 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.73 179.97 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.54 111.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.28 21.35 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.848 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.403 ' C ' HG22 ' B' ' 41' ' ' THR . . . -123.44 -4.58 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.3 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.432 HG23 HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -174.0 152.18 1.87 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 22.41 111.175 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' B' ' 46' ' ' ALA . 54.4 Cg_endo -69.66 -8.26 23.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 74.42 112.389 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -47.53 76.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.804 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 44' ' ' LEU . 2.1 mm? -86.13 -47.09 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.906 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.43 -30.01 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -57.26 -56.02 27.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 25.13 111.057 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.81 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.19 -25.45 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 61.02 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.57 -25.7 67.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.53 110.949 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.56 -54.2 44.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.867 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.43 -59.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.89 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.2 p 58.62 26.48 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.835 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.4 -142.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.663 -0.779 . . . . 74.34 112.384 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -56.15 158.75 3.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 72.13 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -125.17 19.26 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.321 -0.854 . . . . 62.32 111.5 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 4.5 p -68.91 -34.71 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.953 -0.467 . . . . 60.24 111.155 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -129.0 157.39 75.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 70.33 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 166.08 28.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.273 . . . . 72.14 112.33 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -90.29 123.83 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 51.41 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.9 mm -95.63 144.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.088 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 146.94 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.765 ' O ' HG12 ' B' ' 65' ' ' VAL . 9.1 mt -145.26 118.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 60.44 111.242 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.29 -99.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 22.52 112.543 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.83 32.2 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 71.01 110.759 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.765 HG12 ' O ' ' B' ' 62' ' ' ILE . 7.0 p -116.5 150.02 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 75.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.8 128.41 45.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.768 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -131.44 124.34 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.58 -83.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 51.42 112.533 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.57 12.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.442 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -52.37 -30.27 28.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 41.31 110.891 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.96 -41.42 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 72.32 110.801 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.43 -46.41 10.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 65.25 110.835 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.664 HD21 HD22 ' B' ' 25' ' ' LEU . 1.9 tt -52.11 -40.44 61.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.927 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -70.85 -40.96 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.912 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.66 69.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 75.54 111.09 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.11 -41.83 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.937 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.426 ' CD ' HD12 ' B' ' 25' ' ' LEU . 35.7 tt0 -57.54 -30.12 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.864 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.49 -50.16 13.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 62.34 110.821 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -62.15 -26.8 68.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.891 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.01 46.25 2.9 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.7 -0.762 . . . . 74.3 112.512 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.92 28.85 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.599 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.8 pp -87.8 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 53.21 110.959 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.446 ' N ' HD12 ' B' ' 82' ' ' LEU . 2.1 t0 -54.77 -57.27 12.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.91 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -68.52 -20.45 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 61.42 110.803 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.449 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.1 tt -73.71 -49.05 27.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 62.12 110.871 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.449 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.4 pp -75.01 -16.24 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.2 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 62.41 110.912 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -128.56 -46.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.423 . . . . 71.23 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.94 108.93 2.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.481 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -142.47 149.53 39.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 51.14 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.558 ' H ' HD23 ' B' ' 91' ' ' LEU . 1.0 OUTLIER -90.56 -23.61 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 53.13 110.983 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--O 1.248 0.977 0 N-CA-C 106.015 -1.846 . . . . 64.45 106.015 -172.714 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.869 0.366 . . . . 74.1 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.09 152.09 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.551 HG22 HG22 ' A' ' 62' ' ' ILE . 22.9 t -90.2 136.17 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.089 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.44 136.73 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 52.02 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.508 HG21 ' CE ' ' A' ' 23' ' ' LYS . 13.7 tt -124.24 135.71 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 73.32 111.15 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.83 101.07 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.59 148.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 73.11 111.122 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.6 159.95 1.53 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 74.15 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 79.93 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.701 2.268 . . . . 54.21 112.37 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.83 100.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 52.02 112.505 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.546 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 m 179.94 -55.96 0.0 OUTLIER Pre-proline 0 CA--C 1.586 2.358 0 O-C-N 116.961 -3.67 . . . . 63.0 105.823 -159.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 16' ' ' CYS . 53.1 Cg_endo -95.63 -172.66 0.24 Allowed 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 132.933 9.089 . . . . 62.13 112.393 -177.547 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -79.82 54.07 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.553 0.692 . . . . 75.54 111.959 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.99 29.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.06 -1.025 . . . . 75.03 110.881 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.59 -26.09 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.09 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -62.43 -58.74 6.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.56 73.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 54.23 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' CE ' HG21 ' A' ' 10' ' ' ILE . 18.2 mmtp -60.56 -44.71 95.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 61.12 110.916 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.27 9.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 63.04 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.029 HD22 HD21 ' A' ' 73' ' ' LEU . 3.3 tt -57.13 -44.8 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 50.32 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 31' ' ' ALA . 7.4 mt -55.71 -28.47 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.928 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.78 -23.36 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 74.35 111.17 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.41 -25.08 59.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 65.23 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HD2' HD13 ' A' ' 82' ' ' LEU . 6.4 ptmt -112.86 11.3 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.819 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.02 50.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 51.43 112.45 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.573 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -84.43 155.23 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 73.11 111.066 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.78 122.11 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.2 110.889 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -125.26 153.81 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.893 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.72 119.04 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.3 154.95 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 64.3 110.79 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.573 HG21 HD11 ' A' ' 44' ' ' LEU . 61.3 mt -137.9 143.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.096 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.29 89.96 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 64.42 110.804 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.86 178.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 54.12 111.111 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 t 63.09 17.02 9.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.865 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.54 -10.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -164.7 154.4 11.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 62.52 111.172 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.75 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.654 2.236 . . . . 74.41 112.285 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.1 -49.18 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 65.33 110.967 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.573 HD11 HG21 ' A' ' 36' ' ' ILE . 4.0 mm? -60.89 -57.26 13.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.873 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -25.71 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.55 110.889 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -69.58 -41.6 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.41 111.06 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.42 -36.0 71.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 74.02 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.8 mtm -78.94 -27.57 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.15 110.905 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.51 -26.85 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 65.25 110.911 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.11 -43.2 63.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -107.02 -59.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.44 110.926 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.63 50.99 10.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 70.41 110.945 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -153.74 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 53.34 112.518 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -57.72 176.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 72.24 110.791 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' B' ' 18' ' ' TYR . 23.6 m120 -129.17 27.74 5.34 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.222 -1.549 . . . . 75.22 110.372 177.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.71 -45.62 35.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 61.1 111.148 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.86 157.39 71.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.658 0.742 . . . . 71.44 110.905 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.8 174.66 9.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 61.2 112.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.98 128.16 45.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.48 HD13 HG13 ' A' ' 10' ' ' ILE . 42.0 mm -101.57 144.9 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 60.44 111.146 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.06 124.31 21.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.04 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.682 HD13 HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -129.65 99.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 64.31 111.116 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.97 52.44 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.5 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.3 m 59.33 21.27 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 74.2 110.789 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.71 143.56 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.064 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.56 120.43 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 42.22 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.8 128.7 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.14 111.232 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.54 -43.82 36.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.719 . . . . 44.34 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.01 -158.23 27.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.21 112.503 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.86 -34.54 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 65.15 110.889 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.91 -46.97 64.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.4 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.7 -45.18 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 53.44 110.81 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.029 HD21 HD22 ' A' ' 25' ' ' LEU . 5.0 tt -51.51 -42.19 61.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 51.42 110.92 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -67.08 -42.28 84.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.42 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 70.55 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -56.11 -46.07 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 45.43 110.902 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.42 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 62.31 110.876 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.87 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 65.35 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.97 -30.1 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.29 51.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 72.2 112.515 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -129.96 23.93 5.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.849 0.357 . . . . 71.22 110.965 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 ' HD2' ' A' ' 29' ' ' LYS . 2.9 pp -83.4 -32.46 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.959 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.09 -49.72 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.786 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.95 -25.97 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.825 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.682 HD12 HD13 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -65.49 -45.23 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.982 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 -9.96 59.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 70.33 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -33.74 14.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 75.45 110.889 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.09 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 65.11 111.162 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.612 ' CA ' HD12 ' A' ' 62' ' ' ILE . . . 96.7 106.85 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 75.44 112.449 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.28 131.91 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 50.44 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 61.34 110.886 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.861 0.362 . . . . 74.1 111.123 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.06 152.07 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 71.3 110.862 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.56 HG22 HG22 ' B' ' 62' ' ' ILE . 23.4 t -90.26 136.2 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.3 111.097 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.42 136.74 54.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.02 111.079 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.501 HG21 ' CE ' ' B' ' 23' ' ' LYS . 13.7 tt -124.27 135.67 62.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.32 111.157 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -92.84 101.16 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.62 148.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -52.66 159.91 1.57 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 74.15 110.858 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 79.81 0.91 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.748 2.299 . . . . 54.21 112.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 52.02 112.506 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m 158.23 -46.11 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 129.081 2.952 . . . . 63.0 115.515 172.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.21 -169.03 0.18 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 116.142 -2.105 . . . . 62.13 112.34 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 55' ' ' ASN . 16.5 m-85 -91.06 59.96 4.18 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 120.687 -1.258 . . . . 75.54 108.269 -175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.87 29.82 7.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.834 -1.075 . . . . 75.03 110.9 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.53 -26.12 28.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 53.24 111.187 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 65.2 mmt-85 -62.37 -58.84 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.847 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -47.57 73.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 54.23 111.037 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.501 ' CE ' HG21 ' B' ' 10' ' ' ILE . 18.3 mmtp -60.62 -44.75 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 61.12 110.866 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 -57.19 10.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 63.04 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 1.055 HD22 HD21 ' B' ' 73' ' ' LEU . 3.3 tt -57.24 -44.72 84.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 50.32 110.96 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 31' ' ' ALA . 7.4 mt -55.74 -28.44 55.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.917 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 -23.36 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.11 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.43 -25.12 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 65.23 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.628 ' HD2' HD13 ' B' ' 82' ' ' LEU . 6.4 ptmt -112.83 11.24 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.863 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.05 50.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.494 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.556 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -84.49 155.29 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.676 0.274 . . . . 73.11 111.124 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.87 122.11 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -125.26 153.72 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.897 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.66 119.04 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.877 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -83.3 154.97 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 64.3 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.578 HG21 HD11 ' B' ' 44' ' ' LEU . 61.3 mt -137.9 143.53 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 74.42 111.149 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.36 90.03 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 178.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 54.12 111.072 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t 63.16 16.99 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.868 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.56 -10.17 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.42 111.173 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.527 HG23 HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -164.71 154.34 11.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 62.52 111.111 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' B' ' 46' ' ' ALA . 53.9 Cg_endo -69.72 -7.95 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 74.41 112.368 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.24 -49.13 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.33 110.895 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.578 HD11 HG21 ' B' ' 36' ' ' ILE . 4.0 mm? -60.89 -57.32 13.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 73.13 110.896 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -25.81 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.854 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -69.6 -41.59 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 71.41 111.011 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.43 -35.92 71.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -79.0 -27.6 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 65.15 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.43 -26.92 68.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.99 -43.25 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.955 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -107.0 -60.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 75.44 110.896 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.68 51.07 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 70.41 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.39 -153.79 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 53.34 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -57.65 174.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.802 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -126.22 26.0 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.633 -1.292 . . . . 75.22 110.49 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.77 -45.62 35.28 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.047 -0.408 . . . . 61.1 111.164 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.8 157.44 71.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.71 0.767 . . . . 71.44 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.47 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.6 Cg_endo -69.84 174.64 9.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.709 2.273 . . . . 61.2 112.345 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.9 128.16 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.469 HD13 HG13 ' B' ' 10' ' ' ILE . 41.7 mm -101.55 144.96 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 60.44 111.12 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.17 124.33 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.674 HD13 HD12 ' B' ' 85' ' ' LEU . 1.0 OUTLIER -129.62 99.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 64.31 111.125 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.99 52.47 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 71.45 112.454 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m 59.27 21.29 9.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.953 0.406 . . . . 74.2 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.71 143.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 72.44 111.068 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.57 120.48 29.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 42.22 110.833 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.91 128.74 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.119 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.53 -43.8 36.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 44.34 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.02 -158.23 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 73.21 112.487 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.95 -34.47 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.15 110.891 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.92 -47.03 64.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 74.4 110.813 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -83.73 -45.06 13.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 53.44 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 1.055 HD21 HD22 ' B' ' 25' ' ' LEU . 5.0 tt -51.66 -42.02 61.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 51.42 110.891 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.24 -42.17 84.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.932 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.43 74.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 70.55 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 45.43 110.951 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.39 -36.75 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.865 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.82 -53.5 56.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.847 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.0 -30.01 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.912 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.24 51.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 72.2 112.462 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -130.02 23.95 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 71.22 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.628 HD13 ' HD2' ' B' ' 29' ' ' LYS . 2.8 pp -83.33 -32.41 26.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.969 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.11 -49.7 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.767 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.87 -26.0 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.674 HD12 HD13 ' B' ' 62' ' ' ILE . 0.8 OUTLIER -65.45 -45.35 84.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.86 -10.01 59.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 70.33 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -33.75 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.876 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.08 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.606 ' CA ' HD12 ' B' ' 62' ' ' ILE . . . 96.65 106.9 2.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.827 -0.701 . . . . 75.44 112.43 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.2 131.93 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 50.44 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.511 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.6 OUTLIER -79.85 -27.39 40.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 61.34 110.865 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.48 1.064 0 O-C-N 118.471 -2.643 . . . . 74.35 112.188 166.126 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 71.54 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.97 137.49 51.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.854 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.53 147.62 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.127 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.95 150.12 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 65.42 111.098 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.01 135.84 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 65.24 111.224 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CE1' HD12 ' A' ' 36' ' ' ILE . 12.3 m-85 -93.27 108.2 19.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.901 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.78 166.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 74.11 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.21 159.51 84.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 74.32 110.91 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 79.1 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 75.01 112.385 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.52 109.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 63.45 112.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 156.01 -42.27 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.945 0 C-N-CA 128.878 2.871 . . . . 71.33 116.986 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.95 -175.23 0.74 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 115.872 -2.285 . . . . 74.44 112.309 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.15 56.67 3.84 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.848 -1.158 . . . . 64.32 110.874 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.86 -7.33 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.146 -0.971 . . . . 65.24 110.856 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.46 -30.05 18.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 51.03 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -61.25 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 71.24 110.947 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.23 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.157 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.52 -46.44 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.79 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 63.43 111.126 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.7 tp -51.99 -54.05 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 62.33 110.859 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.572 HD13 ' CG ' ' A' ' 33' ' ' PHE . 11.3 mt -55.23 -38.0 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.869 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.85 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 45.31 111.136 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -46.4 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.895 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HZ2' HD23 ' A' ' 86' ' ' LEU . 13.9 mtmt -81.96 0.28 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.89 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.74 15.95 49.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.1 112.475 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.84 168.9 7.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.77 0.319 . . . . 53.44 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.08 140.53 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.918 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CG ' HD13 ' A' ' 26' ' ' LEU . 14.1 p90 -143.87 157.69 44.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.68 129.37 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 35.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.7 153.38 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' CE1' ' A' ' 11' ' ' TYR . 68.9 mt -129.45 113.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 50.41 111.147 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.18 105.82 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.858 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.31 178.04 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.69 28.93 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.899 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.54 -39.33 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.3 111.013 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.76 147.45 62.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 74.31 111.131 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.98 37.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 72.0 112.374 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.08 -27.37 42.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 mt -82.06 -59.55 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 62.42 110.921 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.65 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.81 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.29 95.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 41.12 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.74 -50.99 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.869 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -68.98 -25.97 64.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 65.32 111.022 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.93 -26.0 64.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.966 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.07 -57.99 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.825 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -28.41 17.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.795 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p 51.94 37.91 22.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.61 174.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 73.23 112.417 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -53.68 174.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 74.43 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -113.47 17.19 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.572 -1.194 . . . . 52.51 111.273 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -84.91 -38.85 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.93 -0.481 . . . . 72.34 111.257 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.15 157.3 77.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.667 0.746 . . . . 74.33 110.799 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.25 4.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 72.2 112.381 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.79 132.68 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 65.42 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -102.93 144.24 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.63 127.88 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.841 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 90' ' ' LYS . 4.3 pt -130.66 108.25 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.142 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.31 -118.58 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 53.11 112.511 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.09 31.55 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 72.32 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.87 HG13 HD23 ' A' ' 91' ' ' LEU . 39.7 t -127.8 131.61 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.35 111.142 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -85.75 151.34 23.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.1 t -141.36 131.71 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.17 -56.29 15.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 64.23 112.495 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.68 -138.45 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 73.01 112.494 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 p -71.03 -40.29 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 51.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.88 -41.08 61.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.61 -44.19 10.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.833 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.73 -42.42 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.45 -34.34 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 51.32 110.972 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.3 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 50.53 111.129 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.91 92.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.907 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' OE1' HD22 ' A' ' 82' ' ' LEU . 30.4 mm-40 -60.38 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.874 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.14 -40.8 26.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.13 -30.11 70.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.903 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.29 41.53 1.9 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 13.11 112.51 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -129.98 30.2 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 73.21 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD22 ' OE1' ' A' ' 77' ' ' GLU . 3.9 pp -84.53 -40.42 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.04 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 82' ' ' LEU . 18.0 t70 -51.36 -35.35 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.9 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.87 -21.24 23.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.861 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.56 -44.17 35.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.903 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.502 HD23 ' HZ2' ' A' ' 29' ' ' LYS . 4.6 pp -80.77 -18.52 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 70.03 110.92 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.92 -27.22 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 63.21 110.877 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.3 p -146.11 -49.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.54 111.121 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 103.8 110.18 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 72.54 112.514 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.544 ' N ' HD12 ' A' ' 62' ' ' ILE . 19.6 ttmt -142.65 160.49 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 74.14 110.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.87 HD23 HG13 ' A' ' 65' ' ' VAL . 1.6 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.818 0.342 . . . . 71.54 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.96 137.35 51.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.48 147.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.3 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.98 150.21 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 65.42 111.073 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.09 135.74 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 65.24 111.182 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -93.2 108.08 19.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.67 166.57 3.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 74.11 111.112 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.2 159.61 83.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 74.32 110.852 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 79.1 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 75.01 112.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.61 108.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 63.45 112.441 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m 160.19 -49.49 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 C-N-CA 128.744 2.818 . . . . 71.33 114.458 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.49 -173.59 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 116.772 -1.685 . . . . 74.44 112.319 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.39 56.77 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.674 0.75 . . . . 64.32 111.52 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.5 p -107.36 -7.26 16.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 65.24 110.855 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.12 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 51.03 111.142 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -61.37 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -33.11 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.42 111.147 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.6 -46.41 82.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.891 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.48 -58.81 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 63.43 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.512 HD21 ' CD ' ' B' ' 77' ' ' GLU . 1.7 tp -52.03 -53.93 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.911 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.565 HD13 ' CG ' ' B' ' 33' ' ' PHE . 11.2 mt -55.27 -38.06 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.903 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.96 82.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 45.31 111.069 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -46.4 88.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.942 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HD2' HD13 ' B' ' 82' ' ' LEU . 13.8 mtmt -81.96 0.37 40.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.861 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.67 16.01 49.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 72.1 112.494 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 168.87 7.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.719 0.295 . . . . 53.44 111.06 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.14 140.68 40.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.846 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.565 ' CG ' HD13 ' B' ' 26' ' ' LEU . 14.0 p90 -143.9 157.77 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.858 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.74 129.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 35.34 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.79 153.37 21.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.786 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -129.39 113.72 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 50.41 111.177 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.1 105.83 1.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.44 178.01 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 71.11 111.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.77 28.84 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.853 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 -39.24 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 53.3 111.088 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.78 147.42 62.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 74.31 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.89 36.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 72.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.18 -27.34 42.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -82.11 -59.56 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 62.42 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -30.63 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.24 95.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.507 . . . . 41.12 111.126 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -61.9 -50.86 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 72.21 110.875 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -69.05 -25.93 64.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.961 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -68.95 -25.98 64.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.32 110.933 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.16 -57.95 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.1 110.781 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -28.44 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p 51.98 37.76 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.838 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.53 174.53 0.38 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 73.23 112.46 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -53.6 171.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 74.43 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -109.97 16.43 21.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.37 0.605 . . . . 52.51 112.164 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.8 p -78.56 -38.92 39.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.721 -0.612 . . . . 72.34 111.163 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.09 157.25 77.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.601 0.715 . . . . 74.33 110.84 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.2 4.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.626 2.217 . . . . 72.2 112.343 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.77 132.7 48.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 65.42 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mm -102.98 144.35 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.34 111.147 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.62 127.9 33.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.853 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.553 HD12 ' N ' ' B' ' 90' ' ' LYS . 4.3 pt -130.7 108.2 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.118 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 -118.48 8.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 53.11 112.553 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.15 31.53 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.32 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.897 HG13 HD23 ' B' ' 91' ' ' LEU . 39.8 t -127.82 131.68 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 63.35 111.131 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -85.71 151.25 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 74.14 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 t -141.32 131.82 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.15 -56.27 15.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.23 112.611 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.67 -138.44 4.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 73.01 112.533 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.7 p -71.19 -40.19 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 51.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.9 -41.09 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -44.3 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.821 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.858 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.5 -34.32 60.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 51.32 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 50.53 111.029 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.77 93.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 73.41 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.512 ' CD ' HD21 ' B' ' 25' ' ' LEU . 30.4 mm-40 -60.43 -31.14 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.85 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.11 -40.77 26.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.24 -30.02 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.85 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.51 1.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 13.11 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -130.05 30.24 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 73.21 110.939 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.512 HD22 ' OE1' ' B' ' 77' ' ' GLU . 3.9 pp -84.5 -40.41 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 62.04 110.974 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.493 ' N ' HD12 ' B' ' 82' ' ' LEU . 18.0 t70 -51.34 -35.43 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.904 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.73 -21.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.2 110.848 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.65 -44.07 35.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.472 HD23 ' HZ2' ' B' ' 29' ' ' LYS . 4.6 pp -80.79 -18.52 47.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 70.03 110.917 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.87 -27.38 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 63.21 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 39.0 p -146.04 -49.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.54 111.118 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.528 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 103.82 110.27 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.827 -0.701 . . . . 72.54 112.483 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LYS . . . . . 0.553 ' N ' HD12 ' B' ' 62' ' ' ILE . 19.6 ttmt -142.71 160.47 40.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.761 0.315 . . . . 74.14 110.954 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.897 HD23 HG13 ' B' ' 65' ' ' VAL . 1.6 pp -100.73 -19.28 16.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 70.22 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.244 0.776 0 CA-C-O 117.126 -1.416 . . . . 64.31 110.368 -172.618 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 88' ' ' THR . 2.4 t . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.859 0.361 . . . . 73.54 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' H ' HG12 ' A' ' 6' ' ' VAL . 2.1 t70 -147.93 147.89 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 62' ' ' ILE . 22.5 t -99.01 147.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 54.21 111.13 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' ILE . 3.5 mp -133.33 152.22 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.128 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.558 HD13 ' HE3' ' A' ' 23' ' ' LYS . 17.9 tt -132.92 135.97 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.35 111.108 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 36' ' ' ILE . 9.6 m-85 -94.36 104.86 16.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.71 154.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 62.04 111.122 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 160.43 16.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 75.43 110.842 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.93 -12.6 32.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 74.03 112.268 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 171.8 106.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 62.44 112.499 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.956 ' HA ' HH21 ' B' ' 13' ' ' ARG . 1.5 m 168.26 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.314 -0.975 0 N-CA-C 117.873 2.546 . . . . 74.1 117.873 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.5 -173.39 0.97 Allowed 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 121.172 1.248 . . . . 74.1 112.315 173.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.94 61.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 120.706 -1.246 . . . . 72.32 112.03 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.33 34.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.331 -0.856 . . . . 73.44 110.932 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.99 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 74.45 111.157 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 14.6 mmt180 -64.95 -63.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.02 -40.13 60.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 74.43 111.17 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.558 ' HE3' HD13 ' A' ' 10' ' ' ILE . 14.2 mmtp -71.72 -29.72 64.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -52.71 -56.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 65.2 111.072 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD22 HD11 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -57.12 -53.54 56.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.911 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 31' ' ' ALA . 4.9 mt -56.97 -25.32 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.15 110.935 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.84 -23.46 41.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 43.02 111.093 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -76.3 -33.98 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.842 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.67 ' HE2' HD13 ' A' ' 82' ' ' LEU . 3.7 ptpp? -112.43 12.21 20.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.15 110.842 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.646 -0.788 . . . . 45.45 112.537 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -54.75 166.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 61.31 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.05 118.57 37.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -130.64 159.05 38.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.29 125.19 25.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 155.46 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 9' ' ' ILE . 74.2 mt -132.33 121.4 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 42.14 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.8 103.56 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 74.52 110.795 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.75 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.25 27.4 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.03 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.71 -34.01 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.022 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.84 147.69 65.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 71.34 111.138 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.65 -15.96 37.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 62.5 112.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.01 -26.2 39.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 64.45 110.827 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -89.77 -52.61 4.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.251 -0.431 . . . . 61.24 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 12.7 ptm180 -56.28 -28.63 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 72.45 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HA ' ' NE2' ' A' ' 49' ' ' GLN . . . -79.86 -21.48 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.11 111.157 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.32 -35.05 68.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.874 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.28 -19.94 32.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.05 110.817 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.38 -24.1 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 52.32 110.89 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -83.04 -43.46 16.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -89.79 10.01 25.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 63.24 110.794 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.82 129.39 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.906 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.14 -102.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 75.12 112.546 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.834 ' NH1' HH11 ' B' ' 54' ' ' ARG . 10.3 mmt180 -83.1 -31.95 27.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.337 . . . . 74.23 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.52 35.81 20.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.609 1.164 . . . . 54.43 110.395 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 p -78.3 -44.55 25.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.452 0.701 . . . . 75.32 111.079 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -127.0 157.47 71.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 72.33 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.87 -179.73 3.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.642 2.228 . . . . 71.2 112.31 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.31 152.06 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.25 110.939 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -116.77 144.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.42 111.198 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -132.22 105.97 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 75.4 110.916 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.789 HD13 HD12 ' A' ' 85' ' ' LEU . 4.8 pt -115.17 125.98 72.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 70.24 111.182 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.39 39.63 59.76 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 73.23 112.605 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 m 63.74 25.18 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 72.15 110.794 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.2 t -106.27 148.41 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -84.99 129.39 34.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.886 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 69' ' ' GLY . 60.1 t -128.82 132.78 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 72.21 111.153 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.91 -29.82 14.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 63.15 112.54 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.703 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 129.58 -157.64 21.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.454 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.78 -35.82 45.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 62.45 110.896 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.08 -50.61 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 61.52 110.874 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.56 -44.44 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.932 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 25' ' ' LEU . 1.7 tt -51.43 -42.36 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 71.41 110.895 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.17 -41.78 89.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.87 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.83 -40.1 72.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.55 111.047 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.3 mt -61.45 -39.63 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.935 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' OE1' HD22 ' A' ' 82' ' ' LEU . 8.8 tp10 -59.5 -32.84 70.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -55.73 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.912 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.1 -29.84 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.01 111.006 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.82 48.44 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 74.1 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -127.84 25.34 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 64.34 110.907 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.67 HD13 ' HE2' ' A' ' 29' ' ' LYS . 4.0 pp -79.49 -36.38 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.948 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.441 ' N ' HD12 ' A' ' 82' ' ' LEU . 14.5 t70 -56.46 -51.72 67.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 62.12 110.887 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.81 -25.48 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 63.33 110.832 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -69.88 -51.04 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 74.03 110.954 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -78.9 -9.75 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.55 110.988 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -25.46 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 61.44 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.674 ' HA ' HG21 ' A' ' 6' ' ' VAL . 30.9 p -147.07 -46.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 45.13 111.095 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.62 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 83.16 104.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 52.13 112.538 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.52 172.52 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.816 0.341 . . . . 70.13 110.919 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.23 110.883 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.668 HG21 ' HA ' ' B' ' 88' ' ' THR . 2.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.824 0.345 . . . . 73.54 111.132 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.404 ' H ' HG12 ' B' ' 6' ' ' VAL . 2.2 t70 -147.96 147.88 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 62.34 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.677 HG22 HG22 ' B' ' 62' ' ' ILE . 22.4 t -99.03 147.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 54.21 111.107 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.615 HG21 HD11 ' B' ' 36' ' ' ILE . 3.5 mp -133.35 152.24 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.52 111.118 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.566 HD13 ' HE3' ' B' ' 23' ' ' LYS . 17.9 tt -132.94 135.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 71.35 111.117 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' B' ' 36' ' ' ILE . 9.6 m-85 -94.33 104.77 16.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.84 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.65 154.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 62.04 111.121 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.956 HH21 ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -60.13 160.45 16.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.43 110.823 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -12.71 33.31 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.711 2.274 . . . . 74.03 112.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 171.81 110.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 62.44 112.455 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.304 14.7 t 135.42 -0.83 0.0 OUTLIER Pre-proline 0 CA--C 1.573 1.843 1 C-N-CA 132.76 4.424 . . . . 74.1 121.177 153.902 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.98 -173.24 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 114.632 -3.112 . . . . 74.1 112.34 148.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.2 65.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.762 0.792 . . . . 72.32 111.723 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 p -93.98 34.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.291 -0.881 . . . . 73.44 110.834 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.02 -27.02 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.108 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -64.87 -63.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.54 110.913 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.04 -40.13 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.566 ' HE3' HD13 ' B' ' 10' ' ' ILE . 14.3 mmtp -71.77 -29.71 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.895 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.45 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 65.2 111.154 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.612 HD22 HD21 ' B' ' 73' ' ' LEU . 0.7 OUTLIER -57.17 -53.52 57.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.932 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' B' ' 31' ' ' ALA . 4.8 mt -56.97 -25.24 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.009 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 -23.47 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 43.02 111.138 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -76.31 -33.88 59.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.69 ' HE2' HD13 ' B' ' 82' ' ' LEU . 3.7 ptpp? -112.44 12.16 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 72.15 110.858 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.82 28.01 22.31 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.717 -0.754 . . . . 45.45 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.643 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -54.76 165.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 61.31 111.086 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.02 118.48 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.893 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -130.6 159.05 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.31 125.14 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.918 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.43 155.45 31.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.615 HD11 HG21 ' B' ' 9' ' ' ILE . 73.8 mt -132.31 121.36 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 42.14 111.095 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.77 103.58 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.844 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.92 179.81 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.125 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.2 27.35 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 53.03 110.819 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.64 -34.02 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 72.33 111.049 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.74 147.7 65.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 71.34 111.129 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.402 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 54.8 Cg_endo -69.65 -15.95 37.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.717 2.278 . . . . 62.5 112.4 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.04 -26.21 39.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.78 -52.6 4.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 61.24 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 12.7 ptm180 -56.11 -28.73 58.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.945 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.82 -21.58 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.167 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.17 -35.2 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.16 -19.89 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.05 110.966 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.37 -24.12 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -83.01 -43.6 16.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.848 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -89.64 10.05 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 63.24 110.926 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.84 129.38 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 61.24 110.877 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.17 -102.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.485 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.834 HH11 ' NH1' ' A' ' 54' ' ' ARG . 10.3 mmt180 -83.01 -30.58 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 74.23 110.91 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m120 62.09 29.53 17.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.088 1.355 . . . . 54.43 112.038 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -75.1 -44.42 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.393 . . . . 75.32 111.158 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -127.07 157.37 72.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 72.33 110.931 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.423 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.3 Cg_endo -69.72 -179.76 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.702 2.268 . . . . 71.2 112.363 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.32 152.03 22.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 mm -116.85 144.43 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.046 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -132.26 105.99 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.4 110.927 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.796 HD13 HD12 ' B' ' 85' ' ' LEU . 4.8 pt -115.17 125.97 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 70.24 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.36 39.74 59.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 73.23 112.508 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m 63.65 25.17 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 72.15 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 36.6 t -106.24 148.45 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 70.01 111.174 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -85.05 129.39 34.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 73.12 110.788 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.698 HG12 ' H ' ' B' ' 69' ' ' GLY . 61.5 t -128.86 132.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 72.21 111.117 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.85 14.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 63.15 112.436 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.698 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 129.62 -157.67 21.89 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.773 -0.727 . . . . 74.33 112.421 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.77 -35.86 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 62.45 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.05 -50.54 61.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 61.52 110.84 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.64 -44.49 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.873 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.612 HD21 HD22 ' B' ' 25' ' ' LEU . 1.7 tt -51.36 -42.45 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.882 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.13 -41.74 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.89 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.55 111.087 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.4 HD12 HD13 ' B' ' 85' ' ' LEU . 61.3 mt -61.59 -39.49 91.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.955 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.53 -32.84 70.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.82 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -55.7 5.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.16 -29.76 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.922 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.71 48.52 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 74.1 112.465 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -127.85 25.36 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 64.34 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' B' ' 29' ' ' LYS . 4.0 pp -79.52 -36.49 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.841 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.451 ' N ' HD12 ' B' ' 82' ' ' LEU . 14.5 t70 -56.42 -51.76 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.12 110.867 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.69 -25.57 65.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 63.33 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.796 HD12 HD13 ' B' ' 62' ' ' ILE . 0.4 OUTLIER -69.94 -51.05 36.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 74.03 110.875 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.447 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -78.85 -9.89 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 55.55 110.97 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.64 -25.37 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 61.44 110.846 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.668 ' HA ' HG21 ' B' ' 6' ' ' VAL . 31.1 p -147.08 -46.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 45.13 111.111 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.617 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 83.2 104.65 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 52.13 112.484 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.6 172.49 10.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.803 0.335 . . . . 70.13 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -20.61 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 70.23 110.876 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 119.711 -1.868 . . . . 63.11 111.306 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.754 HG21 ' O ' ' A' ' 88' ' ' THR . 35.3 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.899 0.381 . . . . 70.14 111.09 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -162.19 146.21 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.852 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 62' ' ' ILE . 21.5 t -80.21 140.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.3 111.162 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.582 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.1 mp -133.6 138.23 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.44 111.115 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.593 HD13 ' HE3' ' A' ' 23' ' ' LYS . 16.3 tt -114.39 143.85 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.065 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD1' HD12 ' A' ' 36' ' ' ILE . 6.9 m-85 -93.18 99.86 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -171.56 146.88 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.196 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 158.92 3.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 74.53 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 83.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 71.35 112.385 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 31.44 112.474 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 161.87 -46.69 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 126.39 1.876 . . . . 73.42 115.241 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.84 -173.35 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 CA-C-N 119.159 0.735 . . . . 74.14 112.393 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -64.81 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 116.397 -1.764 . . . . 71.42 110.312 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 p 32.67 47.84 0.11 Allowed 'General case' 0 C--N 1.343 0.294 0 C-N-CA 126.175 1.79 . . . . 75.01 110.907 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.34 -41.84 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 62.23 111.182 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -56.65 -44.97 81.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 65.14 110.811 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -62.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 43.42 111.139 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.593 ' HE3' HD13 ' A' ' 10' ' ' ILE . 20.4 mmtp -53.22 -30.77 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.929 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB3' ' HH ' ' A' ' 74' ' ' TYR . . . -53.1 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.088 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD22 ' CD2' ' A' ' 73' ' ' LEU . 12.8 tp -51.83 -52.96 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD13 ' CG ' ' A' ' 33' ' ' PHE . 7.1 mt -56.05 -25.54 45.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.953 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.03 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.074 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -76.51 -31.12 57.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.839 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -117.45 13.97 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.88 28.01 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 71.34 112.487 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -64.29 169.89 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 72.3 111.1 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.76 152.18 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CG ' HD13 ' A' ' 26' ' ' LEU . 28.1 p90 -166.73 153.24 8.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.882 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.05 124.42 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.894 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -77.66 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.24 110.924 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.582 HD11 ' CG2' ' A' ' 9' ' ' ILE . 60.6 mt -117.75 118.48 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.03 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -69.02 107.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 62.34 110.884 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.4 178.82 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.092 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m 59.38 26.33 15.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 71.44 111.069 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.617 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -127.45 147.61 63.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 64.13 111.14 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.5 Cg_endo -69.76 -15.11 36.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 54.1 112.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -74.51 -58.16 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 52.22 110.759 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.617 HD12 ' CG2' ' A' ' 41' ' ' THR . 39.4 mt -56.68 -57.69 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.42 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 23.9 ptt180 -51.9 -32.02 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.857 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.33 73.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 50.15 111.093 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.2 -50.2 74.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 44.51 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtp -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.903 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.24 -27.51 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 75.45 110.892 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.02 -53.3 54.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.847 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.64 -32.96 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 74.21 110.808 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 56.99 39.74 29.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 63.04 110.898 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.04 -173.66 2.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 64.23 112.499 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -53.67 167.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 65.52 110.846 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -125.1 39.52 3.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.43 0.692 . . . . 65.23 111.347 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -109.03 -26.16 10.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.476 -0.765 . . . . 64.12 111.137 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.1 157.26 69.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 73.31 110.836 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.3 Cg_endo -69.8 -176.8 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.2 112.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -113.34 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.9 150.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 63.11 111.05 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -140.37 139.32 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 73.42 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 8' ' ' VAL . 1.4 pt -141.12 109.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 64.01 111.138 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.62 -119.49 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 73.41 112.556 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.56 27.57 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 72.41 110.876 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.51 145.51 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 54.53 111.099 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -100.2 145.56 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.861 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.7 t -138.15 128.89 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.2 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.73 -85.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.479 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.03 -161.19 10.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 63.51 112.432 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 p -51.89 -32.22 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 62.12 110.878 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.45 -51.18 60.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.824 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.76 -43.79 35.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.426 ' CD2' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.88 -41.32 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.909 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.415 ' HH ' ' HB3' ' A' ' 24' ' ' ALA . 6.3 m-85 -74.89 -41.8 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 65.14 110.938 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.13 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 53.42 111.165 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.91 -38.74 91.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.706 ' HA ' HD23 ' A' ' 82' ' ' LEU . 5.6 tm-20 -60.22 -31.3 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.924 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.2 -52.93 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.784 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.61 -25.88 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 63.23 110.93 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.29 50.29 1.75 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 74.21 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -129.97 24.46 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 74.13 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 77' ' ' GLU . 3.8 pp -90.1 -36.65 14.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 73.22 110.895 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.29 -60.93 2.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 64.05 110.818 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -67.04 -16.26 64.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.874 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.508 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.9 tt -77.36 -47.6 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 86' ' ' LEU . 4.5 pp -77.33 -17.5 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 70.1 110.933 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -39.04 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 65.23 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.754 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.9 t -141.65 -41.63 0.36 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 64.25 111.126 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.527 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 98.17 101.46 2.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 25.42 112.464 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.09 176.51 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 74.24 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 70.33 110.973 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.747 HG21 ' O ' ' B' ' 88' ' ' THR . 35.4 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.858 0.361 . . . . 70.14 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -162.2 146.19 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.863 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.554 HG22 HG22 ' B' ' 62' ' ' ILE . 21.5 t -80.15 140.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.3 111.1 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.581 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.1 mp -133.67 138.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 71.44 111.121 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.58 HD13 ' HE3' ' B' ' 23' ' ' LYS . 16.3 tt -114.42 143.84 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.34 111.101 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.508 ' CD1' HD12 ' B' ' 36' ' ' ILE . 6.9 m-85 -93.18 99.94 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.944 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 t -171.62 146.92 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 72.41 111.157 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 159.0 3.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 74.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 83.89 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 71.35 112.38 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 111.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 31.44 112.482 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.257 11.7 m 144.64 -26.44 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 C-N-CA 131.064 3.746 . . . . 73.42 120.255 168.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.23 -174.34 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 115.49 -2.54 . . . . 74.14 112.361 161.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -69.19 -74.12 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 114.704 -2.569 . . . . 71.42 110.633 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.1 p 33.14 47.96 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 120.383 1.447 . . . . 75.01 110.879 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.44 -41.78 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.23 111.17 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -56.71 -44.86 81.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 65.14 110.876 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -62.8 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 43.42 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.58 ' HE3' HD13 ' B' ' 10' ' ' ILE . 20.5 mmtp -53.09 -30.87 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.937 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.404 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -53.02 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.127 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' B' ' 73' ' ' LEU . 12.8 tp -51.9 -52.93 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.931 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' B' ' 33' ' ' PHE . 7.1 mt -56.05 -25.54 45.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.95 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.04 25.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.136 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.55 -31.06 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.856 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 0.9 OUTLIER -117.48 13.97 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.86 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 28.0 23.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 71.34 112.48 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.513 ' HB2' ' HG3' ' B' ' 29' ' ' LYS . . . -64.39 169.84 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 72.3 111.071 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.6 152.22 19.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 72.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.517 ' CG ' HD13 ' B' ' 26' ' ' LEU . 28.1 p90 -166.79 153.24 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.841 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.03 124.46 23.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -77.78 144.36 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.841 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.581 HD11 ' CG2' ' B' ' 9' ' ' ILE . 60.7 mt -117.86 118.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.488 . . . . 71.03 111.106 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.97 107.88 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 62.34 110.882 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.47 178.81 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 71.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m 59.34 26.38 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.894 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.95 -35.22 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.102 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.599 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -127.52 147.7 63.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 64.13 111.086 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 53.8 Cg_endo -69.83 -15.12 36.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 54.1 112.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -74.46 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 52.22 110.797 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.599 HD12 ' CG2' ' B' ' 41' ' ' THR . 39.6 mt -56.71 -57.65 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 62.42 110.911 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 24.0 ptt180 -52.0 -31.89 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.23 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 50.15 111.118 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.21 -50.21 74.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 44.51 110.852 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.0 mtp -71.28 -29.13 64.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.22 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.12 -27.65 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.924 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.04 -53.19 56.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.63 -33.02 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.81 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 57.01 39.79 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 63.04 110.872 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -173.7 2.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 64.23 112.438 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -53.67 167.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 65.52 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -126.81 45.22 2.73 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.278 0.631 . . . . 65.23 111.108 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -114.08 -26.01 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.783 0.325 . . . . 64.12 111.13 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.15 157.35 69.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.31 110.826 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.406 ' CG ' HD11 ' B' ' 10' ' ' ILE . 52.8 Cg_endo -69.93 -176.77 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.269 . . . . 73.2 112.313 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -113.44 140.69 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 71.43 110.925 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.83 150.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.43 139.29 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.554 HG22 HG22 ' B' ' 8' ' ' VAL . 1.4 pt -141.08 109.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.01 111.136 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.61 -119.48 12.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 73.41 112.417 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.58 27.61 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 72.41 110.856 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.55 145.48 25.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 54.53 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -100.13 145.51 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.903 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 37.6 t -138.18 128.87 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 64.1 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -85.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.33 112.516 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.97 -161.14 9.96 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 63.51 112.48 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -51.93 -32.2 31.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.914 0.388 . . . . 62.12 110.883 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.41 -51.27 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.44 110.805 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.67 -43.79 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.921 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.419 ' CD2' HD22 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -52.92 -41.33 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 63.15 110.874 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.404 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 6.3 m-85 -74.94 -41.74 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.67 -42.12 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 53.42 111.165 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.86 -38.79 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.683 ' HA ' HD23 ' B' ' 82' ' ' LEU . 5.5 tm-20 -60.23 -31.33 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.856 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.11 -52.86 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 64.13 110.88 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.62 -25.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.23 110.88 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.35 50.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 74.21 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -129.94 24.42 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 74.13 110.862 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' B' ' 77' ' ' GLU . 3.8 pp -90.01 -36.68 14.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.857 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.34 -60.84 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 64.05 110.813 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -67.12 -16.28 64.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 71.51 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.506 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.9 tt -77.41 -47.53 19.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.95 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.413 ' C ' HD12 ' B' ' 86' ' ' LEU . 4.5 pp -77.44 -17.46 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -38.97 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 65.23 110.883 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.747 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.9 t -141.65 -41.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 64.25 111.132 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.53 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 98.18 101.49 2.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 25.42 112.476 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.1 176.47 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 74.24 110.92 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 -28.26 11.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 115.707 -2.092 . . . . 74.42 111.418 -171.661 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.565 HG21 ' CA ' ' A' ' 88' ' ' THR . 28.2 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.782 0.325 . . . . 73.2 111.147 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -172.78 146.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 64.24 110.873 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 62' ' ' ILE . 22.8 t -85.06 145.52 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 73.23 111.062 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.65 145.18 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 53.42 111.081 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.693 HD11 ' CG ' ' A' ' 58' ' ' PRO . 14.4 tt -127.29 126.62 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 64.25 111.104 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -89.74 101.91 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.81 170.38 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 71.03 111.159 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 135.48 87.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.626 0.726 . . . . 74.3 110.849 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 77.46 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.738 2.292 . . . . 62.45 112.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.55 98.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 54.31 112.443 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 162.28 -49.47 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.299 0 C-N-CA 126.782 2.033 . . . . 64.0 115.579 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.23 -171.34 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 117.901 -0.933 . . . . 52.02 112.31 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -93.64 42.11 1.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 119.634 -1.916 . . . . 73.21 110.389 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.64 43.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.368 -0.832 . . . . 54.21 110.937 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.41 17.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -65.81 -46.14 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 70.4 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.65 73.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 43.43 111.109 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HA ' HD12 ' A' ' 26' ' ' LEU . 19.0 mmtp -64.5 -43.61 93.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.821 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 24.24 111.123 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.728 HD22 HD21 ' A' ' 73' ' ' LEU . 2.2 tt -57.56 -47.24 82.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 74.05 110.897 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.676 HD13 ' CD1' ' A' ' 33' ' ' PHE . 7.0 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.813 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.81 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -72.42 -54.99 7.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.888 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -87.9 7.88 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.9 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.29 35.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 41.22 112.442 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.588 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -76.37 169.89 17.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 43.33 111.119 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.8 160.07 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 61.14 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.676 ' CD1' HD13 ' A' ' 26' ' ' LEU . 14.3 p90 -165.98 148.28 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 54.15 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.27 126.63 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.922 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.658 ' O ' HD13 ' A' ' 36' ' ' ILE . 18.1 mt-10 -81.24 158.04 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.4 110.827 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 35' ' ' GLU . 25.5 mm -127.93 123.64 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 54.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -73.63 104.37 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.848 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.95 -179.89 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 71.51 111.063 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.55 21.21 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.11 110.819 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.48 -33.28 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 55.24 111.136 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -126.58 148.42 64.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.602 0.715 . . . . 72.35 111.097 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -11.69 31.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 74.14 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.97 -49.25 12.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.577 HD21 HG22 ' A' ' 36' ' ' ILE . 8.6 mp -63.49 -56.49 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.866 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.9 -27.6 31.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 63.23 110.961 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.76 -44.38 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 65.43 111.061 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.42 -53.89 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -56.93 -24.24 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.864 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.43 -21.65 60.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.911 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.78 -43.02 80.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.812 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.04 10.53 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.05 110.822 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.59 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 70.31 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.96 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.806 -0.712 . . . . 42.21 112.469 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -97.81 121.51 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 73.41 110.824 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 73.79 7.94 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.541 -1.349 . . . . 73.43 109.0 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -113.72 -24.64 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.66 -1.154 . . . . 71.11 111.099 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.75 158.38 34.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.742 . . . . 74.24 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.693 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.69 -178.36 2.28 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.735 2.29 . . . . 70.42 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.13 125.24 52.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.86 150.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 63.21 111.069 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.19 126.04 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.01 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 8' ' ' VAL . 1.2 pt -134.81 123.1 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.23 111.107 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.37 -117.47 6.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 64.12 112.484 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.62 25.84 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 74.35 110.83 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.95 142.73 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 72.54 111.087 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.96 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.866 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -133.89 88.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.216 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.72 74.87 1.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.777 . . . . 50.01 112.479 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.6 110.99 0.41 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.757 -0.735 . . . . 60.03 112.525 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -51.85 -32.52 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.5 110.84 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.92 -35.83 77.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.03 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -67.01 -32.6 73.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.01 110.917 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -67.86 -30.4 69.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 54.05 110.921 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.11 -28.56 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 73.01 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -50.66 70.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 72.01 111.058 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.09 -42.67 98.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HG2' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.81 -31.45 72.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 65.42 110.861 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.05 -35.95 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.54 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.18 -30.22 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.792 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.5 42.22 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.833 -0.699 . . . . 73.25 112.422 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -129.42 29.36 5.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.874 0.368 . . . . 73.34 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' A' ' 77' ' ' GLU . 3.1 pp -83.03 -36.99 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.97 -65.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.84 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -58.24 -22.21 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 65.32 110.895 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.489 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.3 tt -73.34 -45.94 52.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.479 . . . . 71.5 110.936 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.541 HD23 ' HE2' ' A' ' 29' ' ' LYS . 4.6 pp -85.79 -9.87 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HE2' HG22 ' A' ' 88' ' ' THR . 0.0 OUTLIER -96.56 -31.64 12.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 74.21 110.925 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.565 ' CA ' HG21 ' A' ' 6' ' ' VAL . 25.3 p -137.56 -47.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.148 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.554 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 101.33 73.54 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.677 -0.773 . . . . 52.42 112.488 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -125.06 150.24 47.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 74.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 54.35 110.956 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' B' ' 88' ' ' THR . 28.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.813 0.339 . . . . 73.2 111.192 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -172.76 146.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.818 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.883 HG22 HG22 ' B' ' 62' ' ' ILE . 22.8 t -84.98 145.57 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.23 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.69 145.04 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 53.42 111.144 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.681 HD11 ' CG ' ' B' ' 58' ' ' PRO . 14.4 tt -127.22 126.64 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.25 111.092 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.8 102.01 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.917 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.88 170.33 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 71.03 111.146 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.405 ' HB3' ' HD3' ' B' ' 17' ' ' PRO . 0.0 OUTLIER -69.91 135.41 87.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 74.3 110.843 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 77.54 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.774 2.316 . . . . 62.45 112.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 99.4 1.15 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 54.31 112.548 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 157.17 -42.04 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 C-N-CA 129.046 2.938 . . . . 64.0 117.643 171.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HB3' ' B' ' 13' ' ' ARG . 52.2 Cg_endo -69.13 -170.27 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 115.904 -2.264 . . . . 52.02 112.277 170.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.66 41.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 119.981 -1.699 . . . . 73.21 109.626 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.08 43.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.047 -1.033 . . . . 54.21 110.88 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.13 -31.39 17.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.07 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.85 -46.12 79.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 70.4 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.75 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 43.43 111.118 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' B' ' 26' ' ' LEU . 19.0 mmtp -64.44 -43.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.876 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.18 61.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 24.24 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.725 HD22 HD21 ' B' ' 73' ' ' LEU . 2.2 tt -57.57 -47.2 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.883 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' B' ' 33' ' ' PHE . 6.9 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.875 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 -24.66 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.054 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.49 -54.99 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.891 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.585 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -87.82 7.88 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.906 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.66 34.4 35.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.77 -0.729 . . . . 41.22 112.461 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.61 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -76.43 169.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 43.33 111.099 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.74 160.07 14.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 61.14 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.682 ' CD1' HD13 ' B' ' 26' ' ' LEU . 14.2 p90 -166.02 148.29 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 54.15 110.909 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.28 126.52 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.946 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.661 ' O ' HD13 ' B' ' 36' ' ' ILE . 18.0 mt-10 -81.17 157.97 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.88 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' O ' ' B' ' 35' ' ' GLU . 25.4 mm -127.9 123.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 54.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.61 104.38 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.878 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.89 -179.9 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.154 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.57 21.22 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.812 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.52 -33.14 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 55.24 111.172 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.511 ' CG2' HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -126.64 148.39 64.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 72.35 111.145 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -11.64 31.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 74.14 112.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.02 -49.19 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 63.41 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.579 HD21 HG22 ' B' ' 36' ' ' ILE . 8.6 mp -63.52 -56.41 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.906 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.87 -27.76 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.879 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.65 -44.45 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 65.43 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -70.34 -53.99 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.83 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -57.0 -24.17 51.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.4 -21.71 60.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.945 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.71 -42.97 81.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.857 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.16 10.6 23.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.05 110.871 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.55 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.857 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.63 -102.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 42.21 112.451 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mmt-85 -97.84 125.51 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 73.41 110.893 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.13 61.12 6.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.595 -0.729 . . . . 73.43 112.242 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.1 p -112.44 -24.68 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.917 -0.489 . . . . 71.11 111.11 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.76 158.37 34.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 74.24 110.833 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.681 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.0 Cg_endo -69.75 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 70.42 112.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.08 125.26 52.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.912 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.88 150.89 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 63.21 111.084 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -146.14 126.02 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 50.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.883 HG22 HG22 ' B' ' 8' ' ' VAL . 1.2 pt -134.7 123.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 73.23 111.147 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.38 -117.5 6.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 64.12 112.488 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.64 25.9 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 74.35 110.86 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.01 142.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 72.54 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.98 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 75.52 110.846 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -133.88 88.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.5 111.184 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.79 74.83 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 50.01 112.468 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.64 110.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 60.03 112.469 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.3 t -51.8 -32.52 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.5 110.905 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.96 -35.84 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 73.03 110.806 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.01 -32.63 73.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 71.01 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.725 HD21 HD22 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -67.88 -30.37 69.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 54.05 110.886 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.11 -28.57 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.853 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.61 70.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.01 111.136 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.14 -42.62 98.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.85 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.718 ' HG2' HD11 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -62.85 -31.43 72.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.881 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -36.01 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.54 110.855 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -76.23 -30.01 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.34 42.13 1.54 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 73.25 112.543 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -129.38 29.41 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 73.34 110.94 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.12 -36.88 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -58.03 -65.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 70.24 110.856 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 47.8 m -58.33 -22.15 52.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 65.32 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.495 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.2 tt -73.4 -45.99 51.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 71.5 110.88 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.548 HD23 ' HE2' ' B' ' 29' ' ' LYS . 4.6 pp -85.73 -9.89 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 62.11 110.864 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' B' ' 88' ' ' THR . 0.0 OUTLIER -96.56 -31.59 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 74.21 110.916 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.561 ' HA ' HG21 ' B' ' 6' ' ' VAL . 25.1 p -137.53 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.174 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.563 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 101.4 73.58 1.03 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 52.42 112.427 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -125.06 150.19 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 74.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.547 ' H ' HD23 ' B' ' 91' ' ' LEU . 1.0 OUTLIER -91.48 -22.87 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 54.35 110.963 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.245 0.829 0 N-CA-C 109.438 -0.579 . . . . 52.31 109.438 -169.198 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.877 0.37 . . . . 40.22 111.094 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.84 147.44 40.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 62' ' ' ILE . 19.4 t -94.89 133.52 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 65.53 111.182 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.83 149.26 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 54.23 111.129 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.656 HG13 HD13 ' A' ' 60' ' ' ILE . 12.6 tt -132.77 140.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.1 111.153 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 36' ' ' ILE . 7.1 m-85 -89.82 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.08 148.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.23 111.112 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -59.44 160.67 12.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 72.02 110.861 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 78.85 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 74.14 112.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 71.12 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m 162.32 -49.51 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.405 0 C-N-CA 127.218 2.207 . . . . 71.54 114.24 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.21 -170.72 0.44 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 119.606 0.895 . . . . 74.34 112.273 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.98 47.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.965 0.888 . . . . 64.14 109.311 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.66 34.67 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.394 -0.816 . . . . 61.11 110.877 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.15 -35.25 21.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.78 -48.89 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 65.51 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.8 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 71.14 111.164 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.55 -29.4 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.977 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.12 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 54.1 111.11 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.9 HD22 HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -71.41 -49.53 40.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.86 -39.55 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.55 110.936 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.38 53.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 63.23 111.149 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.41 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.809 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.667 ' HD2' HD13 ' A' ' 82' ' ' LEU . 22.6 mtmm -94.75 10.34 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.889 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.36 20.17 43.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 74.24 112.553 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 169.49 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 53.2 111.133 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -104.0 159.85 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 54.53 110.86 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -160.58 164.5 31.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 74.02 110.894 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -137.91 130.8 29.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 53.22 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -94.59 136.58 34.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 65.32 110.887 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' A' ' 11' ' ' TYR . 59.8 mt -104.15 132.72 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 74.13 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.05 91.51 1.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.78 179.86 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 16.79 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 71.03 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 -5.51 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.414 HG23 HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -172.3 152.79 2.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.572 0.701 . . . . 62.43 111.046 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -7.97 22.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.687 2.258 . . . . 74.51 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -50.81 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 51.03 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 44' ' ' LEU . 1.8 mm? -83.95 -40.5 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 53.42 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.35 -28.58 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.908 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.63 48.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 51.44 111.046 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.63 -35.39 45.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 74.43 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.1 mtp -90.79 -24.49 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 72.24 110.813 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.93 -19.86 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 74.51 110.915 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.33 -49.1 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.08 -60.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -67.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.789 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.12 3.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 40.01 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -73.63 -23.34 59.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 73.21 110.92 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 60.48 27.63 17.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.123 1.514 . . . . 51.13 110.677 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.695 HG23 ' CD2' ' A' ' 57' ' ' PHE . 2.8 t -58.55 -30.31 67.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.659 -1.155 . . . . 65.2 111.117 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.695 ' CD2' HG23 ' A' ' 56' ' ' THR . 1.5 p90 -141.34 157.58 65.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 73.43 110.875 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 161.82 44.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 71.12 112.42 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.62 118.0 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.978 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.656 HD13 HG13 ' A' ' 10' ' ' ILE . 25.0 mm -90.02 128.2 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 74.11 111.109 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.65 143.8 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 73.55 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 8' ' ' VAL . 10.5 mt -145.33 111.91 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.22 111.151 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.53 -102.97 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 71.2 112.471 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.7 p -117.85 35.02 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 73.54 110.824 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.47 145.08 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 73.21 111.165 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -120.94 101.68 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.823 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -140.43 89.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 64.24 111.088 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.52 79.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.816 -0.707 . . . . 64.22 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.38 110.55 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.41 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.2 m -54.44 -30.41 52.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 75.52 110.832 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.11 -28.43 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 70.24 110.867 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -69.57 -37.89 77.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.895 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.9 HD21 HD22 ' A' ' 25' ' ' LEU . 2.7 tt -66.44 -34.63 78.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.938 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.86 -30.07 61.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.858 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.38 79.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 61.43 111.153 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.83 -46.53 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.939 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.589 ' CD ' HD11 ' A' ' 25' ' ' LEU . 11.3 tt0 -53.39 -35.32 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.867 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -45.5 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 60.21 110.831 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.1 -29.8 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.916 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 36.51 4.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 72.23 112.543 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -122.97 29.97 6.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 72.23 110.901 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.667 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.9 pp -86.2 -37.19 18.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 51.21 110.81 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 82' ' ' LEU . 32.3 t0 -59.18 -63.25 1.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 53.41 110.841 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -20.33 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.88 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.3 tt -75.51 -52.11 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.891 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.6 pp -74.45 -16.6 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.987 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 -40.16 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 62.1 110.977 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 p -130.78 -46.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 65.41 111.154 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.68 103.95 2.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.42 112.452 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 71.24 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.931 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 40.22 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.83 147.49 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.1 110.82 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.581 HG22 HG23 ' B' ' 62' ' ' ILE . 19.4 t -94.93 133.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 65.53 111.119 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.86 149.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 54.23 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.65 HG13 HD13 ' B' ' 60' ' ' ILE . 12.5 tt -132.71 140.93 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.116 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.528 ' CD1' HD12 ' B' ' 36' ' ' ILE . 7.1 m-85 -89.91 104.27 16.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.12 148.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 75.23 111.112 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -59.48 160.65 12.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 72.02 110.839 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.76 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.696 2.264 . . . . 74.14 112.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.32 112.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 71.12 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 42.1 t 156.64 -44.71 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 C-N-CA 128.863 2.865 . . . . 71.54 116.148 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.67 -170.4 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 115.818 -2.321 . . . . 74.34 112.367 171.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -94.03 44.93 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 120.756 -1.215 . . . . 64.14 109.937 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.47 34.73 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.68 -0.637 . . . . 61.11 110.938 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.2 -35.15 21.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.112 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.96 -48.82 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 65.51 110.817 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.76 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 71.14 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.49 -29.45 67.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.939 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.09 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.1 111.099 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.876 HD22 HD21 ' B' ' 73' ' ' LEU . 0.5 OUTLIER -71.4 -49.53 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.991 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.86 -39.52 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.97 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.32 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 63.23 111.123 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.839 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.639 ' HD2' HD13 ' B' ' 82' ' ' LEU . 22.7 mtmm -94.77 10.36 35.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.896 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.5 20.03 43.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.86 169.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 53.2 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -103.95 159.8 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 54.53 110.941 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -160.56 164.52 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.925 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -137.87 130.81 30.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 53.22 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -94.59 136.59 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' B' ' 11' ' ' TYR . 59.6 mt -104.22 132.73 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 74.13 111.106 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.96 91.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.74 179.76 6.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 74.12 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.16 16.67 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.54 -5.48 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.24 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.401 HG23 HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -172.3 152.81 2.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.513 0.673 . . . . 62.43 111.177 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.96 22.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 74.51 112.331 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -66.65 -50.71 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 51.03 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.435 ' H ' HD22 ' B' ' 44' ' ' LEU . 1.8 mm? -83.94 -40.57 18.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.28 -28.61 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.82 -9.68 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 51.44 111.079 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.7 -35.34 45.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.2 mtp -90.86 -24.46 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.98 -19.79 64.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.904 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.29 -49.17 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.974 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.09 -60.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 62.31 110.911 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.46 -67.62 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.785 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.4 -59.2 3.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 40.01 112.481 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -73.56 -20.74 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 73.21 110.971 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 9.9 m120 58.71 29.11 18.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.28 1.032 . . . . 51.13 110.493 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.691 HG23 ' CD2' ' B' ' 57' ' ' PHE . 2.8 t -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 65.2 111.076 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.691 ' CD2' HG23 ' B' ' 56' ' ' THR . 1.5 p90 -141.24 157.6 66.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 73.43 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 71.12 112.382 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.6 117.97 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.961 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.65 HD13 HG13 ' B' ' 10' ' ' ILE . 24.8 mm -89.92 128.13 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.175 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.59 143.78 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.55 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.581 HG23 HG22 ' B' ' 8' ' ' VAL . 10.3 mt -145.32 111.85 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 63.22 111.197 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.58 -103.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 71.2 112.465 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -117.86 35.02 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 73.54 110.861 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -115.49 145.03 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.21 111.138 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -120.92 101.61 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 64.01 110.815 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -140.37 89.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 64.24 111.136 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.64 79.5 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 64.22 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.45 110.42 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 74.43 112.477 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 64.1 m -54.42 -30.31 52.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 75.52 110.927 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -76.2 -28.41 57.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 70.24 110.856 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.826 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.876 HD21 HD22 ' B' ' 25' ' ' LEU . 2.7 tt -66.41 -34.7 78.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 73.2 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.45 79.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.074 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.86 -46.5 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.591 ' CD ' HD11 ' B' ' 25' ' ' LEU . 11.4 tt0 -53.41 -35.3 60.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.5 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -45.56 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 60.21 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.16 -29.63 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.931 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.61 36.57 4.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -123.07 30.01 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.23 110.863 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.639 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.9 pp -86.21 -37.2 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.21 110.887 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.451 ' N ' HD12 ' B' ' 82' ' ' LEU . 32.0 t0 -59.14 -63.29 1.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 53.41 110.832 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -20.34 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.41 110.948 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.498 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.3 tt -75.59 -51.97 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 72.44 110.884 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.498 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.6 pp -74.53 -16.6 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.91 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -40.08 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.952 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -130.84 -47.02 1.03 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 65.41 111.077 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.75 103.92 2.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.76 . . . . 64.42 112.403 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 71.24 110.829 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.57 -23.62 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.96 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--O 1.248 0.975 0 N-CA-C 107.782 -1.192 . . . . 65.2 107.782 -176.629 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 65.11 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.86 131.33 54.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 71.34 110.865 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 62' ' ' ILE . 21.2 t -98.11 146.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 73.12 111.125 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 36' ' ' ILE . 3.1 mp -139.99 154.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 62.13 111.131 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.799 HG21 ' HE3' ' A' ' 23' ' ' LYS . 18.6 tt -142.35 140.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 73.01 111.096 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -89.75 109.67 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.557 HG23 ' HB3' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -154.5 151.18 28.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 71.03 111.176 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 32.5 mtt85 -84.3 154.52 63.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 62.53 110.909 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.28 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.707 2.271 . . . . 43.33 112.409 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 16' ' ' CYS . . . 77.34 96.61 0.2 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 50.25 112.507 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.79 ' HB3' ' HD3' ' A' ' 17' ' ' PRO 0.359 37.6 t 177.32 -68.88 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.202 1 O-C-N 115.755 -4.379 . . . . 70.0 100.486 -157.557 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -86.62 -174.8 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.102 1 C-N-CA 133.963 9.775 . . . . 51.03 112.376 -172.271 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -112.01 57.37 0.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 122.395 1.093 . . . . 64.04 112.215 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 12' ' ' THR . 26.8 p -92.13 45.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 119.565 -1.96 . . . . 72.12 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -44.46 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 73.01 111.121 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 31.4 mmt180 -62.11 -41.61 98.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 54.42 110.84 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.799 ' HE3' HG21 ' A' ' 10' ' ' ILE . 36.6 mmtm -64.28 -22.59 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 53.11 110.94 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -51.8 -41.06 61.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.132 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.795 HD22 HD21 ' A' ' 73' ' ' LEU . 3.6 tt -88.42 -46.5 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.75 -42.67 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.956 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.54 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 64.1 111.12 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -24.09 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 70.45 110.811 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HD3' HD13 ' A' ' 82' ' ' LEU . 2.0 mmpt? -93.35 -10.34 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.888 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.31 6.95 88.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.789 -0.719 . . . . 71.34 112.455 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 154.03 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 73.43 111.075 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.99 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.862 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 71.34 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -149.84 124.38 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -77.42 159.99 29.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.817 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 9' ' ' ILE . 81.7 mt -137.21 104.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 65.33 111.095 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.49 103.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 53.24 110.849 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.2 178.36 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 61.11 111.103 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.04 26.63 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 64.24 110.917 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.65 -34.04 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 74.33 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.568 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -136.39 147.54 60.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.499 0.666 . . . . 73.23 111.243 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -16.95 37.58 Favored 'Trans proline' 0 C--N 1.34 0.108 0 C-N-CA 122.734 2.289 . . . . 63.24 112.248 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -37.37 70.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 64.44 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' CG2' ' A' ' 41' ' ' THR . 24.6 mt -89.75 -50.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.04 110.849 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -52.35 -29.84 25.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.02 88.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.143 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -73.37 -42.8 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.885 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.0 ttp -71.4 -26.03 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.03 110.799 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -62.16 -26.62 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 72.31 110.927 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.99 -40.21 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 65.03 110.952 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.07 -26.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.2 m -52.21 140.85 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.858 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.1 -20.99 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.51 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.46 -39.82 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 75.32 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 57.98 41.99 23.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.237 -1.347 . . . . 73.1 110.722 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -105.0 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.946 -1.025 . . . . 75.33 111.202 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.79 157.39 52.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.772 0.796 . . . . 73.21 110.804 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.667 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.0 Cg_endo -69.61 172.31 12.73 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.666 2.244 . . . . 71.35 112.409 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -97.75 116.47 30.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CD1' HD12 ' A' ' 10' ' ' ILE . 40.9 mm -90.14 143.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.146 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.64 139.73 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.815 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.788 HD12 ' HA2' ' A' ' 89' ' ' GLY . 7.1 pt -146.51 117.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.069 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.69 -118.56 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.766 -0.73 . . . . 64.24 112.471 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -110.26 25.03 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 74.1 110.85 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.92 144.64 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.159 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.19 146.21 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.52 127.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 55.43 111.142 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.48 -52.72 31.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.814 -0.708 . . . . 71.41 112.459 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.64 -153.87 24.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 34.41 112.527 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -51.98 -36.21 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 62.15 110.895 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -49.16 68.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.897 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.55 -43.52 26.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.87 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.795 HD21 HD22 ' A' ' 25' ' ' LEU . 2.7 tt -55.31 -34.18 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -76.87 -41.81 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 61.45 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 52.31 111.077 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.504 HD12 HD13 ' A' ' 85' ' ' LEU . 68.3 mt -64.49 -39.58 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.526 ' OE1' HD22 ' A' ' 82' ' ' LEU . 12.0 tp10 -57.74 -29.47 64.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 64.05 110.896 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.05 -54.14 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 73.33 110.915 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.98 -26.12 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.38 34.56 6.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.771 -0.728 . . . . 50.42 112.539 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.51 26.42 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 62.22 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.529 HD13 ' HD3' ' A' ' 29' ' ' LYS . 4.3 pp -78.9 -36.31 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 54.1 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.502 ' N ' HD12 ' A' ' 82' ' ' LEU . 35.5 t70 -55.98 -55.55 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 75.53 110.852 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -61.77 -33.27 73.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -62.58 -55.89 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 54.43 110.943 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.58 -21.41 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 63.12 110.944 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -40.0 46.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.913 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -147.04 -42.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.32 111.107 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.788 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 119.65 112.06 2.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 63.54 112.394 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.36 130.34 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 73.31 110.915 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.1 110.95 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.774 0.321 . . . . 65.11 111.056 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.89 131.34 54.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 71.34 110.82 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.403 HG22 HG22 ' B' ' 62' ' ' ILE . 21.1 t -98.06 146.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.124 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.663 HG21 HD11 ' B' ' 36' ' ' ILE . 3.1 mp -140.04 154.1 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 62.13 111.121 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.788 HG21 ' HE3' ' B' ' 23' ' ' LYS . 18.6 tt -142.22 140.78 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.149 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 74.03 110.94 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.575 HG23 ' HB3' ' B' ' 58' ' ' PRO . 0.1 OUTLIER -154.53 151.13 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.208 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.403 ' HB3' ' HD2' ' B' ' 14' ' ' PRO . 32.6 mtt85 -84.34 154.57 63.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 62.53 110.874 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 13' ' ' ARG . 53.9 Cg_endo -69.71 78.28 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.733 2.289 . . . . 43.33 112.355 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.35 102.85 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 50.25 112.484 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 16' ' ' CYS 0.315 37.2 t 162.24 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 C-N-CA 129.261 3.024 . . . . 70.0 116.412 174.022 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -63.44 -172.0 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.427 -2.582 . . . . 51.03 112.327 176.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -117.04 58.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 124.178 0.991 . . . . 64.04 110.437 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.51 ' SG ' HG21 ' B' ' 12' ' ' THR . 26.8 p -93.03 45.56 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.082 -1.011 . . . . 72.12 110.949 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -44.46 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.01 111.102 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 31.3 mmt180 -62.14 -41.63 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 54.42 110.857 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.29 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.788 ' HE3' HG21 ' B' ' 10' ' ' ILE . 36.7 mmtm -64.29 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 53.11 110.859 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' B' ' 21' ' ' ARG . . . -51.7 -41.15 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.063 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.791 HD22 HD21 ' B' ' 73' ' ' LEU . 3.6 tt -88.42 -46.42 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.997 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.71 -42.73 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.51 111.011 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.5 71.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 64.1 111.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -24.01 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.828 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.525 ' HD3' HD13 ' B' ' 82' ' ' LEU . 2.0 mmpt? -93.44 -10.39 35.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.956 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.43 6.89 88.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 71.34 112.476 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.39 154.07 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.739 0.304 . . . . 73.43 111.119 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.88 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.938 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.898 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -149.88 124.33 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.52 110.925 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -77.3 159.99 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.873 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.663 HD11 HG21 ' B' ' 9' ' ' ILE . 81.9 mt -137.25 104.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 65.33 111.107 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.43 103.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 53.24 110.929 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.11 178.27 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 61.11 111.085 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.11 26.54 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.56 -34.07 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.33 111.072 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.572 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -136.37 147.61 60.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 73.23 111.165 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -17.05 37.55 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 63.24 112.215 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.75 -37.38 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 64.44 110.917 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.572 HD12 ' CG2' ' B' ' 41' ' ' THR . 24.4 mt -89.68 -50.6 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -52.39 -29.88 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.931 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.99 88.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 72.11 111.052 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -73.34 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 12.1 ttp -71.41 -26.03 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.03 110.809 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -62.06 -26.63 68.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 72.31 110.911 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -69.98 -40.32 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 65.03 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.08 -26.32 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 75.41 110.836 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.6 m -52.01 140.84 19.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.903 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.07 -21.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 72.33 112.508 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.47 -39.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 75.32 110.865 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 54.75 44.73 28.04 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.914 1.285 . . . . 73.1 110.746 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -105.25 -60.2 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.389 -1.278 . . . . 75.33 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.73 157.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.21 110.866 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.668 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.2 Cg_endo -69.72 172.32 12.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.645 2.23 . . . . 71.35 112.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -97.73 116.34 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.921 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.49 ' CD1' HD12 ' B' ' 10' ' ' ILE . 40.9 mm -90.01 143.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.138 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.69 139.67 42.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.809 HD12 ' HA2' ' B' ' 89' ' ' GLY . 7.1 pt -146.55 117.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.53 111.115 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.89 -118.66 7.5 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.694 -0.765 . . . . 64.24 112.457 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -110.24 25.06 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.1 110.907 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.2 t -117.89 144.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 74.32 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.14 146.21 26.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.854 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.52 127.92 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 55.43 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.49 -52.61 32.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 71.41 112.486 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.59 -153.92 24.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.753 . . . . 34.41 112.476 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -51.94 -36.26 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 62.15 110.867 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -49.25 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 75.02 110.819 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.49 -43.54 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.44 110.937 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.791 HD21 HD22 ' B' ' 25' ' ' LEU . 2.7 tt -55.24 -34.3 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 62.13 110.95 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.85 -41.83 42.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 61.45 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.71 -41.47 67.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 52.31 111.124 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.5 HD12 HD13 ' B' ' 85' ' ' LEU . 67.9 mt -64.38 -39.73 94.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' B' ' 25' ' ' LEU . 12.0 tp10 -57.63 -29.52 64.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 64.05 110.88 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.04 -54.16 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 73.33 110.858 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.96 -26.09 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.861 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.32 34.63 6.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 50.42 112.502 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.62 26.42 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 62.22 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.528 HD22 ' OE1' ' B' ' 77' ' ' GLU . 4.3 pp -78.83 -36.35 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 54.1 110.956 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.495 ' N ' HD12 ' B' ' 82' ' ' LEU . 35.5 t70 -56.03 -55.51 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.874 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -61.7 -33.29 73.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.877 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.5 HD13 HD12 ' B' ' 76' ' ' LEU . 0.5 OUTLIER -62.61 -55.89 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 54.43 110.969 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.49 -21.44 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.947 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -40.1 46.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.931 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -146.99 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.809 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 119.64 111.95 2.38 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.702 -0.761 . . . . 63.54 112.465 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.33 130.36 30.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.31 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.539 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.8 OUTLIER -80.15 -31.39 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 71.1 110.9 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.473 0.699 0 O-C-N 117.595 -3.191 . . . . 74.33 108.673 -170.696 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.79 0.328 . . . . 64.2 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -143.24 128.86 19.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.02 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.7 150.36 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.154 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.726 HG21 HD11 ' A' ' 36' ' ' ILE . 3.3 mp -139.63 153.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.235 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.601 HD13 ' HE3' ' A' ' 23' ' ' LYS . 11.1 tt -132.65 136.49 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.141 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.8 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.956 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.14 152.77 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.02 111.098 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.966 HH12 ' HA ' ' B' ' 16' ' ' CYS . 1.8 mtt180 -66.43 160.12 68.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 75.43 110.853 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 87.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 44.33 112.266 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.8 97.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 50.14 112.51 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.024 ' C ' HH12 ' B' ' 13' ' ' ARG . 0.0 OUTLIER -177.6 -110.79 0.0 OUTLIER Pre-proline 1 N--CA 1.374 -4.27 2 N-CA-C 86.928 -8.916 . . . . 73.01 86.928 -176.219 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.699 ' N ' HH12 ' B' ' 13' ' ' ARG . 53.1 Cg_endo -34.24 -176.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 1 C-N-CA 135.025 10.484 . . . . 73.45 112.279 -161.741 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.52 -77.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 115.564 -2.16 . . . . 62.24 111.34 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.74 47.13 0.15 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 125.021 1.328 . . . . 62.22 110.902 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -42.49 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.52 111.109 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.5 -47.13 80.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 73.5 110.94 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.87 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.14 111.126 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HE3' HD13 ' A' ' 10' ' ' ILE . 25.7 mmtp -63.97 -45.71 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.852 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -60.36 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 52.35 111.103 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.622 HD11 ' HG2' ' A' ' 77' ' ' GLU . 21.8 tp -51.82 -53.88 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.908 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 33' ' ' PHE . 17.9 mt -58.18 -22.47 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.902 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.89 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 70.52 111.1 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.41 -35.56 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.848 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -107.96 16.28 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.05 110.868 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.41 20.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 54.52 112.425 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.01 156.77 39.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 74.14 111.05 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.23 157.79 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.706 ' HB3' HD13 ' A' ' 26' ' ' LEU . 24.0 p90 -170.23 153.45 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.894 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.53 127.12 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.35 155.65 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.726 HD11 HG21 ' A' ' 9' ' ' ILE . 77.7 mt -130.34 124.57 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 61.12 111.14 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.45 98.1 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.951 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.58 179.22 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.036 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.31 26.35 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.43 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.52 -35.93 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.01 111.162 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.94 147.58 63.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.727 . . . . 74.14 111.158 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.72 -14.63 36.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.276 . . . . 75.14 112.369 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.35 -48.51 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.7 -57.87 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.958 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 16.5 ptm180 -53.49 -28.32 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -71.29 -36.46 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 61.52 111.159 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.0 -49.04 40.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.979 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.39 -20.34 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 63.33 110.8 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -63.5 -53.48 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 73.25 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.42 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.862 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.26 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.832 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -51.94 163.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 65.22 110.845 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.92 117.1 3.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.504 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.93 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 51.02 110.902 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.46 49.18 0.81 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 74.0 111.9 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.698 HG23 ' CD2' ' A' ' 57' ' ' PHE . 3.6 t -94.49 -26.91 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 120.976 -1.078 . . . . 71.45 111.14 -176.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.698 ' CD2' HG23 ' A' ' 56' ' ' THR . 1.7 p90 -138.86 157.35 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.691 0.758 . . . . 75.42 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.22 3.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.813 2.342 . . . . 74.01 112.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.92 125.14 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.87 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.009 HG21 HD13 ' A' ' 73' ' ' LEU . 41.3 mm -96.5 115.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.125 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.18 117.31 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.635 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.9 pt -114.22 95.44 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.1 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.05 -97.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.505 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.2 38.81 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 72.22 110.855 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -139.4 143.05 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.53 111.182 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.45 145.76 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.9 t -135.41 138.13 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 63.24 111.111 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.14 -48.14 40.14 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 70.35 112.555 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.17 -155.81 26.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 63.14 112.507 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -52.06 -29.95 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 75.5 110.93 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.59 -54.35 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 51.11 110.796 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.42 -41.64 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 74.15 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.009 HD13 HG21 ' A' ' 60' ' ' ILE . 3.6 tp -52.0 -29.87 22.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.914 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -37.95 29.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.9 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 70.11 111.11 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.95 -42.26 75.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.622 ' HG2' HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.09 -30.43 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 70.43 110.964 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.02 -41.48 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.926 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -70.08 -29.84 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.2 33.39 3.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 62.15 112.524 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 64.23 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 77' ' ' GLU . 3.1 pp -87.42 -38.06 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.63 -59.91 3.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.851 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.6 -26.37 67.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.76 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.635 ' HG ' HG21 ' A' ' 62' ' ' ILE . 2.6 tt -68.68 -42.14 78.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.939 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 86' ' ' LEU . 4.6 pp -89.83 -15.03 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.909 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.98 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 63.2 110.929 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.0 p -145.53 -52.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.25 111.132 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 41.34 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 63.02 112.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.26 137.86 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 74.32 110.942 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.975 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.809 0.338 . . . . 64.2 111.098 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -143.23 128.92 19.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.509 . . . . 61.02 110.935 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.82 150.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.116 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.707 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -139.69 153.23 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.45 111.085 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.614 HD13 ' HE3' ' B' ' 23' ' ' LYS . 11.2 tt -132.75 136.47 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.84 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.19 152.71 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.133 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 1.024 HH12 ' C ' ' A' ' 16' ' ' CYS . 1.8 mtt180 -66.31 160.07 67.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 75.43 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 87.72 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.732 2.288 . . . . 44.33 112.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.7 95.3 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.695 -0.764 . . . . 50.14 112.473 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.966 ' HA ' HH12 ' A' ' 13' ' ' ARG 0.273 0.8 OUTLIER -173.05 -66.93 0.0 OUTLIER Pre-proline 0 N--CA 1.408 -2.54 0 C-N-CA 116.039 -2.264 . . . . 73.01 108.968 -169.859 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' B' ' 16' ' ' CYS . 53.0 Cg_endo -75.64 -174.66 2.1 Favored 'Trans proline' 0 C--O 1.231 0.145 1 C-N-CA 130.695 7.597 . . . . 73.45 112.27 -179.348 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 114.584 -2.626 . . . . 62.24 110.746 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.57 47.1 0.14 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 121.251 1.841 . . . . 62.22 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -42.42 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.48 -47.22 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' B' ' 10' ' ' ILE . . . -57.01 -53.97 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.069 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.614 ' HE3' HD13 ' B' ' 10' ' ' ILE . 25.6 mmtp -63.9 -45.72 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.879 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.69 -60.34 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 52.35 111.089 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.604 HD11 ' HG2' ' B' ' 77' ' ' GLU . 21.8 tp -51.88 -53.71 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.954 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' B' ' 33' ' ' PHE . 17.8 mt -58.32 -22.38 52.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.891 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.6 -20.03 25.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.52 111.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.29 -35.67 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.799 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -107.86 16.17 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 71.05 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.84 27.42 20.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 54.52 112.506 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.69 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 74.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.1 157.75 22.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.709 ' HB3' HD13 ' B' ' 26' ' ' LEU . 23.8 p90 -170.18 153.54 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.941 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.55 127.08 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 65.51 110.935 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.33 155.65 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.96 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.707 HD11 HG21 ' B' ' 9' ' ' ILE . 77.7 mt -130.27 124.56 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.286 -0.415 . . . . 61.12 111.15 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -82.51 98.09 8.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.963 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.47 179.24 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.195 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.32 26.36 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 54.43 110.799 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.46 -36.12 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 64.01 111.167 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.92 147.59 63.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 74.14 111.115 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 54.0 Cg_endo -69.7 -14.69 36.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 75.14 112.384 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.33 -48.58 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.65 -57.87 7.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 16.5 ptm180 -53.45 -28.38 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 62.32 110.903 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -71.24 -36.56 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 61.52 111.071 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.99 -49.06 40.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.27 -20.39 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 63.33 110.859 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -63.45 -53.54 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.38 -36.15 82.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.912 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.15 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.14 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -51.94 163.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 65.22 110.876 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.04 117.02 3.01 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.665 -0.779 . . . . 72.02 112.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.91 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 51.02 110.893 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.94 47.6 0.87 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.527 0.936 . . . . 74.0 113.527 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.696 HG23 ' CD2' ' B' ' 57' ' ' PHE . 3.7 t -90.4 -26.88 19.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.453 . . . . 71.45 111.186 -175.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.696 ' CD2' HG23 ' B' ' 56' ' ' THR . 1.7 p90 -138.89 157.27 71.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 75.42 110.928 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.24 3.83 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.777 2.318 . . . . 74.01 112.325 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.93 125.09 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.872 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.966 HG21 HD13 ' B' ' 73' ' ' LEU . 41.4 mm -96.53 115.76 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.24 111.153 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.14 117.32 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.898 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.635 HG21 ' HG ' ' B' ' 85' ' ' LEU . 2.9 pt -114.22 95.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.1 111.076 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.16 -97.53 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 73.11 112.437 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.26 38.8 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 72.22 110.827 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 89.2 t -139.38 143.06 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 72.53 111.163 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.38 145.73 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.36 138.18 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 63.24 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.29 -48.11 41.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 70.35 112.456 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.82 26.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.683 -0.77 . . . . 63.14 112.426 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -51.93 -30.06 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 75.5 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.5 -54.48 36.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 51.11 110.747 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -81.37 -41.68 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 74.15 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.966 HD13 HG21 ' B' ' 60' ' ' ILE . 3.6 tp -52.0 -29.78 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 71.54 110.922 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.73 -37.88 29.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.11 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.96 -42.19 75.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 70.31 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.604 ' HG2' HD11 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -59.12 -30.49 68.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.879 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.03 -41.46 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 72.43 110.913 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -70.0 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.15 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.25 33.43 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 62.15 112.483 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -116.73 29.98 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 64.23 110.779 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' B' ' 77' ' ' GLU . 3.1 pp -87.45 -38.02 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.77 -59.8 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.63 -26.35 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 70.43 110.776 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.635 ' HG ' HG21 ' B' ' 62' ' ' ILE . 2.6 tt -68.68 -42.08 78.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.956 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.408 ' C ' HD12 ' B' ' 86' ' ' LEU . 4.6 pp -89.89 -15.0 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.944 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.97 20.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 63.2 110.932 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -145.6 -52.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 64.25 111.067 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.36 41.19 7.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 63.02 112.556 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.2 138.02 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 74.32 110.895 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.6 -18.22 54.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 64.13 110.945 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--O 1.249 1.046 0 N-CA-C 107.755 -1.202 . . . . 75.15 107.755 173.077 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 88' ' ' THR . 30.6 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.865 0.364 . . . . 73.44 111.048 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.86 143.88 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.22 110.851 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.795 HG22 HG23 ' A' ' 62' ' ' ILE . 20.7 t -86.31 134.52 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.105 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -135.01 148.23 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.52 111.186 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.698 HD11 ' CG ' ' A' ' 58' ' ' PRO . 19.8 tt -133.36 134.31 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.187 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.441 ' CD1' HD12 ' A' ' 36' ' ' ILE . 19.9 m-85 -97.32 100.28 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 62.5 110.934 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.77 173.79 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 60.42 111.089 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.83 159.6 34.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.734 . . . . 74.13 110.899 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.78 36.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 51.54 112.32 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.59 116.05 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 70.44 112.475 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 159.5 -51.18 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 127.596 2.359 . . . . 43.43 113.639 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.97 -171.78 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 119.073 0.705 . . . . 62.43 112.349 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.25 39.46 0.72 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.377 1.084 . . . . 62.54 112.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.19 -11.59 32.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.327 -1.483 . . . . 63.13 110.885 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.6 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 62.35 111.108 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.46 -59.18 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.64 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 72.1 111.071 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.672 ' HE3' HG21 ' A' ' 10' ' ' ILE . 34.8 mmtm -67.88 -35.05 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 53.21 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 52.45 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD23 ' HG ' ' A' ' 73' ' ' LEU . 16.6 tp -56.07 -45.48 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 31.34 110.92 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 31' ' ' ALA . 14.4 mt -55.99 -25.5 44.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.886 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.1 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 111.133 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.28 -24.14 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.881 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.771 ' HD2' HD13 ' A' ' 82' ' ' LEU . 11.0 pttt -117.56 17.59 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 70.52 110.944 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.82 22.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 42.22 112.538 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -70.08 170.02 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 72.21 111.087 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.98 159.76 15.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.92 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -168.63 159.82 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 63.54 110.904 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.5 120.7 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.89 154.97 24.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' A' ' 11' ' ' TYR . 71.3 mt -132.78 115.98 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 70.24 111.183 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.68 109.87 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.41 110.923 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.51 179.94 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 52.41 111.081 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.18 27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 -33.95 3.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.137 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.95 147.61 64.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 74.14 111.189 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.77 -15.55 37.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 71.42 112.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.15 -55.95 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 63.52 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 7.9 ptm180 -52.19 -33.85 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.828 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.31 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.055 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.68 -59.55 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 73.5 110.823 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.15 -26.82 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 64.53 110.843 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.13 -26.06 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 44.2 110.851 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -52.16 -54.78 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.922 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -74.77 -57.99 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.22 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 t 60.44 46.24 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.841 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.31 -149.57 24.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 63.41 112.508 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.27 170.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 74.32 110.852 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -131.34 22.34 4.78 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 122.931 0.492 . . . . 74.42 111.053 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -52.86 12.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.833 0.349 . . . . 72.25 111.116 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.38 158.15 47.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.735 0.778 . . . . 72.14 110.858 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.698 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.3 Cg_endo -69.77 176.31 6.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 71.35 112.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.32 111.44 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.976 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 10' ' ' ILE . 37.7 mm -91.82 144.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.111 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.7 139.82 31.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.795 HG23 HG22 ' A' ' 8' ' ' VAL . 5.1 mt -144.13 98.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.35 111.113 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' VAL . . . 52.12 72.27 0.54 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.475 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.68 55.52 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 74.4 110.868 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 63' ' ' GLY . 56.6 t -140.03 104.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.157 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.83 110.24 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 61.31 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 127.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 53.44 111.211 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.15 -45.96 27.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 62.45 112.455 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.14 -151.52 23.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 72.15 112.459 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.22 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 54.25 110.889 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -49.85 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 70.54 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -80.8 -44.04 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 65.43 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.475 ' HG ' HD23 ' A' ' 25' ' ' LEU . 11.9 tp -51.79 -42.1 62.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 52.22 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.06 -40.82 60.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.35 -52.41 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 64.13 111.006 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.71 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 71.43 110.886 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.9 -41.52 98.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 70.13 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.4 -52.97 62.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.31 -30.03 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.875 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.0 49.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 73.12 112.533 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.05 29.94 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 74.34 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.7 pp -88.95 -37.03 15.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.964 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' N ' HD12 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -55.48 -60.92 2.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 70.1 110.847 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -65.98 -22.19 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 65.11 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 62' ' ' ILE . 1.1 tt -69.65 -51.37 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.914 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.4 pp -75.33 -9.93 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.879 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -40.1 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.55 110.877 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.623 ' O ' HG21 ' A' ' 6' ' ' VAL . 2.0 t -140.94 -41.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 51.44 111.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.27 109.43 2.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 64.11 112.508 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -144.63 139.07 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 73.22 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 62.2 110.947 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 88' ' ' THR . 30.3 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.959 0.409 . . . . 73.44 111.023 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.88 143.89 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 71.22 110.844 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.789 HG22 HG23 ' B' ' 62' ' ' ILE . 21.0 t -86.34 134.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 71.34 111.1 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.95 148.25 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 73.52 111.168 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.703 HD11 ' CG ' ' B' ' 58' ' ' PRO . 19.8 tt -133.34 134.33 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.131 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.443 ' CD1' HD12 ' B' ' 36' ' ' ILE . 19.9 m-85 -97.35 100.24 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 62.5 110.9 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.73 173.73 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 60.42 111.125 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.76 159.51 34.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 74.13 110.968 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.63 36.35 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 51.54 112.369 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.56 116.34 0.39 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.79 -0.719 . . . . 70.44 112.49 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.45 ' SG ' ' HD3' ' B' ' 17' ' ' PRO 0.256 25.1 p 154.11 -39.34 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 129.225 3.01 . . . . 43.43 116.581 173.39 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' PRO . . . . . 0.45 ' HD3' ' SG ' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.27 -172.02 0.58 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 117.13 -1.447 . . . . 62.43 112.331 170.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -86.97 49.0 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.468 1.127 . . . . 62.54 110.819 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.81 -11.51 20.71 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.095 -1.003 . . . . 63.13 110.909 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.56 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 62.35 111.035 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.52 -59.2 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 64.3 110.812 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.67 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.683 ' HE3' HG21 ' B' ' 10' ' ' ILE . 34.9 mmtm -67.93 -35.09 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 53.21 110.848 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.62 -64.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 52.45 111.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.476 HD23 ' HG ' ' B' ' 73' ' ' LEU . 16.7 tp -56.02 -45.47 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 31.34 110.914 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' B' ' 31' ' ' ALA . 14.4 mt -56.06 -25.43 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 70.42 110.866 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.98 -20.1 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.225 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.37 -24.12 57.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.768 ' HD2' HD13 ' B' ' 82' ' ' LEU . 11.1 pttt -117.51 17.59 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 70.52 110.903 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.14 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.751 . . . . 42.22 112.49 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' B' ' 29' ' ' LYS . . . -70.08 170.04 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 72.21 111.053 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -104.96 159.75 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.97 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -168.63 159.78 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 63.54 110.801 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.42 120.71 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.88 155.06 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.906 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' B' ' 11' ' ' TYR . 71.7 mt -132.81 115.95 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 70.24 111.136 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.77 110.0 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.853 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.58 179.98 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 52.41 111.042 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.17 26.97 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.86 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 72.54 111.082 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.97 147.64 64.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 74.14 111.169 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 52.8 Cg_endo -69.87 -15.55 36.73 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 71.42 112.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.94 -42.69 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.892 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.15 -56.07 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 63.52 110.888 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 ptm180 -52.09 -33.9 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.45 110.81 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.29 94.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.128 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.71 -59.39 4.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 61.7 mtp -63.32 -26.75 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.53 110.845 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -68.11 -25.98 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 44.2 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.15 -54.76 26.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -74.82 -58.02 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.849 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t 60.52 46.2 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 61.33 110.796 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.3 -149.59 24.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.23 169.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 74.32 110.846 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.97 26.66 4.6 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.994 -0.441 . . . . 74.42 111.362 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -52.83 11.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.839 0.352 . . . . 72.25 111.155 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.36 158.04 47.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 72.14 110.955 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.703 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.8 Cg_endo -69.63 176.33 6.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 71.35 112.339 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.33 111.51 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.402 ' CD1' HD12 ' B' ' 10' ' ' ILE . 37.9 mm -91.84 144.77 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.096 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.68 139.82 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 75.33 110.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.789 HG23 HG22 ' B' ' 8' ' ' VAL . 5.2 mt -144.02 98.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 65' ' ' VAL . . . 52.03 72.36 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.822 -0.704 . . . . 70.43 112.53 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.57 55.59 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 74.4 110.946 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 63' ' ' GLY . 56.1 t -140.07 104.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 72.31 111.125 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.93 110.23 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.895 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.06 127.8 70.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.474 . . . . 53.44 111.137 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.07 -46.02 26.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.814 -0.708 . . . . 62.45 112.475 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.12 -151.54 23.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 72.15 112.476 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.18 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 54.25 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -49.9 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 70.54 110.837 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -80.73 -44.07 19.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.852 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.476 ' HG ' HD23 ' B' ' 25' ' ' LEU . 11.8 tp -51.84 -42.04 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 52.22 110.915 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.0 -40.9 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 73.24 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.46 59.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 64.13 111.05 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.7 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.904 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.83 -41.48 97.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 70.13 110.943 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.46 -52.92 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 62.14 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -63.43 -29.86 71.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.935 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.98 49.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 73.12 112.534 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.14 29.97 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 74.34 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.7 pp -89.04 -37.12 15.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.89 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -60.96 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 70.1 110.882 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -66.07 -22.19 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.805 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.603 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.1 tt -69.68 -51.23 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.957 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.603 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.4 pp -75.4 -9.91 58.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.924 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.42 -40.09 16.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 65.55 110.868 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.624 ' O ' HG21 ' B' ' 6' ' ' VAL . 2.0 t -140.9 -41.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 51.44 111.206 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.34 109.48 2.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.664 -0.779 . . . . 64.11 112.426 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -144.65 138.98 27.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 73.22 110.962 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -18.62 23.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 62.2 110.919 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.242 0.709 0 N-CA-C 107.004 -1.48 . . . . 70.32 107.004 178.596 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 88' ' ' THR . 2.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.769 0.319 . . . . 62.44 111.161 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.21 138.42 54.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 52.13 110.907 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 62' ' ' ILE . 16.5 t -79.82 140.24 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.115 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.66 146.15 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.122 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.659 HG21 ' CE ' ' A' ' 23' ' ' LYS . 13.0 tt -144.57 133.85 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.124 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -89.96 101.4 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.44 110.907 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -176.08 160.07 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 65.3 111.153 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -69.0 159.81 81.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 63.31 110.802 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.73 24.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 52.22 112.315 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.46 105.65 0.18 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.709 -0.758 . . . . 51.02 112.439 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.453 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 37.3 t 166.51 -51.16 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 127.137 2.175 . . . . 73.43 113.915 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -72.13 -170.71 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 O-C-N 121.829 0.384 . . . . 62.41 112.405 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -92.76 38.13 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.78 0.8 . . . . 71.34 111.303 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.85 30.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 120.984 -1.073 . . . . 64.45 110.832 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.88 33.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 53.14 111.102 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -68.2 -61.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.21 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -51.22 -40.64 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 75.22 111.045 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.659 ' CE ' HG21 ' A' ' 10' ' ' ILE . 23.1 mmtp -74.01 -34.61 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 65.31 111.058 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD23 ' CD1' ' A' ' 73' ' ' LEU . 8.4 tp -70.46 -51.21 30.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 54.23 110.907 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 33' ' ' PHE . 9.2 mt -53.02 -32.45 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.23 110.906 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.72 70.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.031 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -39.2 57.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.858 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HE2' HD22 ' A' ' 82' ' ' LEU . 9.3 ptpt -90.02 10.6 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.61 22.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 63.41 112.555 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -75.59 149.23 38.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 61.12 111.034 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -99.25 118.86 36.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 26' ' ' LEU . 20.0 p90 -118.86 177.85 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.827 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.11 113.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 63.35 110.76 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.42 141.02 37.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 75.23 110.897 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.779 HG21 HD22 ' A' ' 44' ' ' LEU . 67.8 mt -116.92 119.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 73.22 111.088 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.19 102.96 9.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 75.41 110.893 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.34 -179.91 7.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 63.04 111.093 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.78 24.21 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 61.31 110.856 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.26 13.15 4.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 62.01 111.129 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.691 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -178.12 147.24 0.59 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 73.51 111.163 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.59 37.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.229 . . . . 52.32 112.306 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.39 -44.66 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.23 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.779 HD22 HG21 ' A' ' 36' ' ' ILE . 8.3 mt -90.07 -46.99 8.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.901 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -52.07 -33.58 39.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.829 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.14 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.119 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.37 -51.05 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 64.3 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.2 mmm -63.78 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 72.1 110.947 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.66 -25.73 68.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.846 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -52.09 -44.54 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.83 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.51 -59.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 64.53 110.911 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.92 33.72 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.05 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.85 -161.65 5.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.789 -0.72 . . . . 45.52 112.446 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.905 HH22 HH12 ' B' ' 21' ' ' ARG . 12.1 mmt180 -59.06 179.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 72.52 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' HB3' ' CD1' ' B' ' 18' ' ' TYR 0.292 15.6 p-10 -95.26 50.88 1.28 Allowed 'General case' 0 N--CA 1.479 0.992 0 O-C-N 118.429 -2.669 . . . . 73.11 109.969 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.8 p -70.72 -172.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 113.861 -1.518 . . . . 70.04 111.166 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.5 156.88 1.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.734 0.778 . . . . 72.41 110.846 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.4 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.2 Cg_endo -69.85 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 65.34 112.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.47 112.98 26.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 65.1 110.863 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.806 HG21 HD23 ' A' ' 73' ' ' LEU . 32.7 mm -89.86 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.079 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.727 ' O ' HD13 ' A' ' 62' ' ' ILE . 2.9 m-85 -142.91 131.74 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.89 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.806 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.5 mm -129.67 104.04 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.11 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.418 ' CA ' HG11 ' A' ' 6' ' ' VAL . . . 66.82 -89.09 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 73.23 112.533 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.27 24.55 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.943 0.401 . . . . 74.23 110.895 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 62' ' ' ILE . 8.0 p -107.27 149.71 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 73.15 111.119 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.84 124.47 48.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.3 110.89 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 69' ' ' GLY . 96.0 t -124.33 123.55 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 70.22 111.153 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.94 -37.42 35.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.713 -0.756 . . . . 51.44 112.468 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 154.98 -146.2 13.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 62.51 112.452 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -58.29 -22.74 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 75.1 110.844 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.89 -59.1 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.823 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.09 -35.11 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 44.55 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 60' ' ' ILE . 1.8 tm? -51.74 -46.02 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.854 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -77.04 -28.32 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 75.23 110.839 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.69 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.23 111.131 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 81' ' ' LYS . 91.7 mt -59.99 -39.61 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.578 ' HB2' HD21 ' A' ' 25' ' ' LEU . 8.9 tp10 -59.39 -36.54 76.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 74.53 110.832 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.65 -56.41 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.807 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.14 -21.04 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.23 21.46 35.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 75.02 112.496 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HB2' HD22 ' A' ' 76' ' ' LEU . 3.3 mmtt -77.27 -14.85 59.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 75.41 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.574 HD22 ' HE2' ' A' ' 29' ' ' LYS . 2.4 pp -50.75 -36.34 36.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.3 -65.03 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 71.44 110.936 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.15 -17.75 63.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.806 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.8 tt -74.72 -51.81 13.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.939 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.577 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -75.24 -9.84 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 53.3 110.862 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.53 -40.2 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 70.11 110.868 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.7 t -139.53 -41.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.03 111.157 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 65.35 1.41 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 65.01 112.554 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.15 149.35 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 62.41 110.822 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 74.54 110.934 179.867 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 88' ' ' THR . 2.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.889 0.376 . . . . 62.44 111.075 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.29 138.37 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 52.13 110.781 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.716 HG13 ' CD1' ' B' ' 62' ' ' ILE . 16.5 t -79.85 140.33 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 75.33 111.141 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.73 146.11 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.652 HG21 ' CE ' ' B' ' 23' ' ' LYS . 12.9 tt -144.49 133.72 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -89.95 101.41 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.92 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -176.08 160.09 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 65.3 111.122 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -68.81 159.81 80.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 63.31 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.602 2.202 . . . . 52.22 112.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.44 105.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 51.02 112.469 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.17 -53.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.547 0 C-N-CA 127.019 2.128 . . . . 73.43 112.364 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.37 -169.7 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 118.452 0.483 . . . . 62.41 112.423 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 3.2 m-85 -100.87 46.36 0.95 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.528 1.156 . . . . 71.34 109.022 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.89 30.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.998 -1.001 . . . . 64.45 110.84 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.86 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 53.14 111.118 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.905 HH12 HH22 ' A' ' 54' ' ' ARG . 13.1 mmt85 -68.32 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 65.21 110.908 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.423 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -51.32 -40.6 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.018 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.652 ' CE ' HG21 ' B' ' 10' ' ' ILE . 23.1 mmtp -74.01 -34.58 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 65.31 111.143 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.722 HD23 ' CD1' ' B' ' 73' ' ' LEU . 8.5 tp -70.39 -51.23 31.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 54.23 110.981 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' B' ' 33' ' ' PHE . 9.2 mt -53.12 -32.4 47.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.7 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.093 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.81 -39.2 57.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 65.23 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.579 ' HE2' HD22 ' B' ' 82' ' ' LEU . 9.2 ptpt -90.06 10.76 22.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.57 22.19 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.754 -0.736 . . . . 63.41 112.514 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.526 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -75.55 149.25 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 61.12 111.07 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -99.15 118.75 36.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 74.33 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.561 ' CD2' HD13 ' B' ' 26' ' ' LEU . 20.0 p90 -118.82 177.92 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.806 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.17 113.47 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.765 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.33 140.91 37.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 75.23 110.954 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.771 HG21 HD22 ' B' ' 44' ' ' LEU . 67.1 mt -116.84 119.35 61.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 73.22 111.154 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.11 103.02 9.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 75.41 110.839 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.38 -179.9 7.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 63.04 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.87 24.13 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.772 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.19 13.0 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 62.01 111.16 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.69 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -178.03 147.3 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 73.51 111.142 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.67 37.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 52.32 112.324 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.35 -44.72 58.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.883 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.771 HD22 HG21 ' B' ' 36' ' ' ILE . 8.2 mt -90.01 -46.98 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.935 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -51.96 -33.58 38.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.23 95.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.23 111.091 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.3 -51.06 40.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.9 mmm -63.75 -32.45 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.1 110.917 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.57 -25.89 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.804 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.92 -44.56 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.58 -59.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 64.53 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.91 33.75 12.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 72.05 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.83 -161.69 5.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 45.52 112.537 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.0 -179.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 72.52 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -76.79 34.99 0.15 Allowed 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 126.977 2.111 . . . . 73.11 114.801 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -79.08 -172.81 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 120.936 -1.102 . . . . 70.04 111.193 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.37 156.76 1.91 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 72.41 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.752 2.301 . . . . 65.34 112.358 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.37 113.0 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 65.1 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.771 HG21 HD23 ' B' ' 73' ' ' LEU . 32.8 mm -89.95 141.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 71.24 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.73 ' O ' HD13 ' B' ' 62' ' ' ILE . 2.9 m-85 -142.95 131.74 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.894 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.804 HG21 ' HG ' ' B' ' 85' ' ' LEU . 2.5 mm -129.7 104.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 74.11 111.064 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.413 ' CA ' HG11 ' B' ' 6' ' ' VAL . . . 66.93 -89.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.681 -0.771 . . . . 73.23 112.5 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.25 24.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 74.23 110.82 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.677 HG12 ' O ' ' B' ' 62' ' ' ILE . 8.0 p -107.3 149.65 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.114 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.7 124.44 48.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.872 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.487 HG12 ' H ' ' B' ' 69' ' ' GLY . 96.8 t -124.43 123.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 70.22 111.1 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -37.45 35.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 51.44 112.523 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.487 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 155.0 -146.14 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 62.51 112.521 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 39.8 t -58.28 -22.71 53.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 75.1 110.827 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.9 -59.1 4.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.85 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.94 -35.26 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 44.55 110.849 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.771 HD23 HG21 ' B' ' 60' ' ' ILE . 1.8 tm? -51.84 -45.9 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.907 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.03 -28.33 54.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.918 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.79 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.045 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' B' ' 81' ' ' LYS . 91.8 mt -59.95 -39.59 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.957 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.57 ' HB2' HD21 ' B' ' 25' ' ' LEU . 8.9 tp10 -59.39 -36.49 75.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 74.53 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -56.45 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -66.07 -21.03 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.852 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.46 35.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 75.02 112.509 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LYS . . . . . 0.534 ' HB2' HD22 ' B' ' 76' ' ' LEU . 3.3 mmtt -77.26 -14.85 59.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 75.41 110.94 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.579 HD22 ' HE2' ' B' ' 29' ' ' LYS . 2.4 pp -50.78 -36.26 36.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.875 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.33 -65.02 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.953 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.11 -17.79 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 54.11 110.879 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.804 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.8 tt -74.74 -51.87 13.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 71.31 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.577 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -75.16 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 53.3 110.984 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -40.15 13.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.11 110.923 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' THR . . . . . 0.443 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.6 t -139.57 -41.1 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.102 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.51 65.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 65.01 112.514 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 149.4 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 62.41 110.828 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.896 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 tt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 116.974 -1.488 . . . . 64.02 110.702 179.131 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 121.432 0.462 . . . . 60.32 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -27.33 27.13 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 71.23 112.389 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.83 110.38 0.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.463 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -18.26 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 60.45 110.87 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -175.4 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 61.23 110.883 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.96 -177.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.35 55.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 60.44 110.814 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.44 150.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.123 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.6 mp -136.02 151.54 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 70.41 111.144 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' HZ1' ' A' ' 23' ' ' LYS . 11.2 tt -136.06 135.33 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.135 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.4 m-85 -91.68 106.72 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 72.25 110.935 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.95 146.14 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 42.23 111.111 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.1 160.73 81.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 64.43 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 78.22 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 70.15 112.305 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.51 105.42 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 73.43 112.462 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.257 31.7 m 147.08 -28.51 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 131.147 3.779 . . . . 65.3 120.966 164.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.22 -10.88 27.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 113.555 -3.83 . . . . 74.11 112.329 162.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 69.81 64.06 0.24 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.333 1.453 . . . . 73.5 110.99 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.23 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.818 -0.551 . . . . 42.41 110.917 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.36 -22.25 60.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 34.4 111.108 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.72 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 53.52 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HZ1' HG21 ' A' ' 10' ' ' ILE . 8.7 mmtp -76.57 -27.84 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 73.04 110.944 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB3' ' OH ' ' A' ' 74' ' ' TYR . . . -52.33 -45.65 65.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.122 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD23 HD21 ' A' ' 73' ' ' LEU . 11.0 tp -76.1 -52.24 10.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 65.05 110.893 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.709 HD13 ' CD2' ' A' ' 33' ' ' PHE . 8.9 mt -51.64 -30.31 21.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 62.51 110.91 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -37.16 62.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.069 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.41 -24.07 63.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 54.14 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.748 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 2.4 ptpt -111.74 4.66 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.828 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.93 30.95 31.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 63.04 112.441 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . . . -74.25 167.89 20.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 74.22 111.061 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.11 146.57 26.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.907 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.709 ' CD2' HD13 ' A' ' 26' ' ' LEU . 8.9 p90 -150.87 146.54 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 75.04 110.891 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.42 122.61 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -77.16 157.68 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.01 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 9' ' ' ILE . 79.8 mt -135.61 117.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.42 111.127 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.87 106.6 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.86 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.3 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.064 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.18 25.77 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 51.22 110.928 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.57 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.3 111.099 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.537 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -129.17 147.92 66.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 74.24 111.172 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -15.2 37.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.739 2.293 . . . . 72.5 112.347 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.3 -40.98 57.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.883 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.537 HD12 ' CG2' ' A' ' 41' ' ' THR . 18.0 mt -89.11 -46.57 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.933 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -52.0 -46.37 64.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 64.43 110.833 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.8 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 73.41 111.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.72 -58.31 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 64.54 110.846 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.19 -25.17 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 72.03 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.61 67.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.07 -41.93 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.885 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -89.86 10.04 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.37 152.62 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 74.05 110.915 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.46 118.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 70.3 112.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . 2.6 mpp_? 58.32 23.93 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 71.44 110.854 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.1 45.04 1.61 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.536 1.772 . . . . 71.42 109.888 -175.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -53.96 175.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 112.243 -2.253 . . . . 63.33 111.17 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.39 157.05 1.8 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 63.21 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.69 2.01 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.74 2.294 . . . . 50.22 112.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -109.72 149.45 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.412 HD13 HG13 ' A' ' 10' ' ' ILE . 41.1 mm -112.35 147.22 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.45 111.116 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.912 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 89' ' ' GLY . 2.1 pt -121.54 108.02 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.178 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.1 -116.25 6.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 74.43 112.508 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 m -107.86 26.52 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 71.3 110.873 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.1 t -121.5 144.41 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 62.15 111.143 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -97.26 152.9 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 69' ' ' GLY . 57.3 t -140.1 131.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 70.53 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.63 -30.78 28.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 62.24 112.52 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.727 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 136.21 -134.77 7.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.721 . . . . 60.23 112.477 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.467 ' HG ' ' HD2' ' A' ' 74' ' ' TYR . 2.2 t -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 63.32 110.866 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.75 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 63.04 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -43.5 35.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.667 HD21 HD23 ' A' ' 25' ' ' LEU . 1.4 tt -52.33 -40.71 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.916 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.627 ' OH ' ' HB3' ' A' ' 24' ' ' ALA . 9.1 m-85 -79.01 -40.74 30.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.903 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.51 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.11 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.23 -39.43 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.617 ' HA ' HD23 ' A' ' 82' ' ' LEU . 5.1 tm-20 -59.44 -29.92 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.52 110.87 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.09 -51.66 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.34 -29.97 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 55.23 110.86 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 46.14 1.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 65.03 112.484 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -129.81 26.52 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 73.31 110.924 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 29' ' ' LYS . 3.7 pp -90.1 -36.63 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 73.31 110.873 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.84 -62.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.867 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -15.6 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.852 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.3 tt -78.53 -49.04 14.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 53.23 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -76.55 -10.08 59.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.973 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -36.41 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.943 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -131.77 -46.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.218 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.535 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 86.62 65.87 1.39 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.699 -0.762 . . . . 72.33 112.454 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.5 164.62 11.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 73.54 110.86 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -96.61 -19.03 19.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.95 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--O 1.246 0.904 0 O-C-N 120.585 -1.322 . . . . 71.15 112.375 178.287 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 121.42 0.456 . . . . 60.32 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -27.29 26.86 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 71.23 112.381 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.78 110.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 71.11 112.489 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -18.37 60.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 60.45 110.857 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.45 -175.4 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 61.23 110.9 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.97 -177.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.065 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.33 55.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 60.44 110.83 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.45 150.14 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 72.1 111.138 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.6 mp -136.05 151.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 70.41 111.129 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.406 HG13 HD13 ' B' ' 60' ' ' ILE . 11.2 tt -136.07 135.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 75.12 111.112 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' B' ' 36' ' ' ILE . 12.4 m-85 -91.77 106.68 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.91 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.91 146.2 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 42.23 111.085 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.09 160.75 81.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 64.43 110.867 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 78.29 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.642 2.228 . . . . 70.15 112.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.5 104.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.455 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m 152.16 -29.99 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 N-CA-C 119.937 3.31 . . . . 65.3 119.937 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -72.67 -8.77 23.02 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 116.695 -1.736 . . . . 74.11 112.331 164.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 63.4 67.59 0.64 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.227 1.811 . . . . 73.5 111.8 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.089 0.956 . . . . 42.41 110.955 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -22.21 60.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 34.4 111.08 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.78 40.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.822 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.436 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -62.37 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 53.52 111.035 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -76.59 -27.84 55.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.402 . . . . 73.04 110.972 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.629 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -52.37 -45.66 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 65.23 111.086 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.659 HD23 HD21 ' B' ' 73' ' ' LEU . 11.1 tp -76.1 -52.2 10.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 65.05 110.922 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.712 HD13 ' CD2' ' B' ' 33' ' ' PHE . 8.9 mt -51.72 -30.27 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.897 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.15 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.08 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.45 -24.08 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 54.14 110.898 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.743 ' HD3' ' HB2' ' B' ' 31' ' ' ALA . 2.4 ptpt -111.7 4.68 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.863 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.92 30.91 30.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 63.04 112.496 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.743 ' HB2' ' HD3' ' B' ' 29' ' ' LYS . . . -74.21 167.85 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 74.22 111.1 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.07 146.56 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.939 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.712 ' CD2' HD13 ' B' ' 26' ' ' LEU . 8.9 p90 -150.84 146.55 26.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.878 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.41 122.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.18 157.7 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.834 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' B' ' 9' ' ' ILE . 79.8 mt -135.6 117.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.42 111.162 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.86 106.59 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.32 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 65.4 111.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.15 25.84 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 51.22 110.887 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.58 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 64.3 111.064 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.546 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -129.15 147.88 66.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 74.24 111.167 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -15.24 37.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 72.5 112.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.28 -40.9 58.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' B' ' 41' ' ' THR . 18.0 mt -89.17 -46.59 8.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 65.11 110.887 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -52.01 -46.41 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 64.43 110.804 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.72 92.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 73.41 111.125 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.76 -58.25 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 64.54 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.26 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.03 110.83 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.56 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.909 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.05 -41.99 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.853 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.91 10.12 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 74.45 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.43 152.65 21.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 74.05 110.879 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.41 118.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.41 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 54' ' ' ARG . 2.6 mpp_? 58.39 25.96 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 71.44 110.82 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 45.87 41.08 7.38 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.438 1.113 . . . . 71.42 108.352 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -57.63 175.41 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 63.33 111.188 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.36 157.05 1.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 63.21 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -177.67 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 50.22 112.359 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -109.69 149.44 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.03 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.406 HD13 HG13 ' B' ' 10' ' ' ILE . 40.9 mm -112.33 147.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.122 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.935 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.538 HD12 ' C ' ' B' ' 89' ' ' GLY . 2.1 pt -121.56 108.01 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.14 111.182 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.08 -116.29 6.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 74.43 112.437 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 40.8 m -107.84 26.53 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 71.3 110.815 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -121.46 144.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 62.15 111.153 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -97.36 152.91 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.722 HG12 ' H ' ' B' ' 69' ' ' GLY . 57.5 t -140.13 131.76 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.159 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -30.73 28.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.67 -0.776 . . . . 62.24 112.467 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.722 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 136.2 -134.76 7.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.816 -0.707 . . . . 60.23 112.483 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' SER . . . . . 0.539 ' HG ' ' HD2' ' B' ' 74' ' ' TYR . 2.2 t -65.83 -39.39 90.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 63.32 110.891 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.72 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 63.04 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.99 -43.44 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.822 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.659 HD21 HD23 ' B' ' 25' ' ' LEU . 1.3 tt -52.38 -40.68 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.629 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 9.1 m-85 -79.0 -40.7 30.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.925 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.58 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.147 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.18 -39.46 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.914 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.638 ' HA ' HD23 ' B' ' 82' ' ' LEU . 5.1 tm-20 -59.44 -29.93 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 64.52 110.848 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.07 -51.68 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 64.23 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.31 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 55.23 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 46.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 65.03 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -129.79 26.49 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 73.31 110.939 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.695 HD13 ' HE2' ' B' ' 29' ' ' LYS . 3.7 pp -90.04 -36.65 14.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 73.31 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.88 -62.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.849 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -15.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.836 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.412 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.2 tt -78.57 -49.04 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 53.23 110.905 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.412 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -76.5 -10.12 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 60.13 110.967 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -36.43 10.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 21.1 p -131.76 -46.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 62.41 111.155 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.538 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 86.67 65.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.475 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.47 164.57 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 73.54 110.918 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.415 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.4 OUTLIER -96.58 -20.52 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.52 110.958 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--O 1.243 0.734 0 O-C-N 120.082 -1.636 . . . . 71.15 110.465 178.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.398 0.444 . . . . 64.13 112.552 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 169.32 19.28 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.728 2.286 . . . . 74.24 112.331 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.42 -153.9 0.8 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.781 -0.723 . . . . 70.12 112.566 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.61 157.48 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 74.23 110.879 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.4 mtm -148.36 176.68 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 64.22 110.896 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.649 HG21 ' O ' ' A' ' 88' ' ' THR . 29.8 m -90.97 -176.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 65.24 111.126 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.18 149.44 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 53.42 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 62' ' ' ILE . 61.5 t -84.22 132.87 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 36' ' ' ILE . 3.4 mp -130.85 146.26 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.142 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.48 HD11 ' CG ' ' A' ' 58' ' ' PRO . 12.9 tt -126.09 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.078 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.04 102.14 14.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.452 HG23 ' OE1' ' A' ' 35' ' ' GLU . 14.7 t -175.74 165.92 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 62.33 111.166 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -69.78 160.71 78.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.761 . . . . 73.53 110.816 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -15.9 37.11 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.41 112.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.68 100.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.659 -0.782 . . . . 30.35 112.455 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.662 ' HA ' ' NH2' ' B' ' 13' ' ' ARG . 4.7 m -177.37 -72.6 0.0 OUTLIER Pre-proline 0 C--N 1.295 -1.765 0 N-CA-C 108.92 -0.77 . . . . 73.41 108.92 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -62.5 -177.87 0.33 Allowed 'Trans proline' 0 C--N 1.326 -0.646 0 C-N-CA 124.484 3.456 . . . . 61.35 112.353 -176.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -97.18 59.61 1.62 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.186 0.993 . . . . 65.32 110.314 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.3 p -96.8 30.96 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.053 -1.029 . . . . 63.11 110.945 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.56 -25.78 33.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 34.04 111.145 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 26.1 mtt180 -66.44 -60.53 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -40.17 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.105 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.67 -25.61 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB3' ' OH ' ' A' ' 74' ' ' TYR . . . -51.73 -58.2 7.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 71.14 111.149 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.551 HD11 ' HG3' ' A' ' 77' ' ' GLU . 14.6 tp -62.72 -42.77 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.886 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.9 mt -57.11 -24.12 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.842 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 53.21 111.066 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.1 -26.9 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 54.03 110.791 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD3' HD13 ' A' ' 82' ' ' LEU . 1.3 ptpm? -119.2 15.7 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.909 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.49 28.28 20.6 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 33.53 112.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.747 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -62.76 160.75 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 63.23 111.081 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -96.89 147.11 24.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 26' ' ' LEU . 12.2 p90 -155.84 153.57 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.909 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.33 128.41 48.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.912 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE1' HG23 ' A' ' 12' ' ' THR . 8.9 mm-40 -83.79 159.4 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.901 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 9' ' ' ILE . 78.0 mt -139.65 107.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 72.04 111.217 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.87 105.48 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 73.52 110.957 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.36 178.44 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.4 111.107 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.35 26.25 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.44 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.0 -35.99 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.13 147.59 66.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 72.41 111.064 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -16.84 37.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 74.55 112.344 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.75 -42.17 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 70.43 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.89 -57.81 5.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.95 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.54 45.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.929 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.75 27.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 65.52 111.074 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.41 -29.74 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.46 -26.22 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 54.31 110.871 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.28 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -74.39 -40.75 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.53 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.15 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.35 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -53.11 132.63 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.797 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.93 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.472 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.58 157.69 28.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 73.43 110.855 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.43 26.01 10.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.696 0.76 . . . . 72.32 109.604 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.1 -43.12 35.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.108 -0.951 . . . . 61.35 111.123 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -139.57 157.3 70.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 73.43 110.932 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CG ' HD11 ' A' ' 10' ' ' ILE . 52.8 Cg_endo -69.73 179.58 3.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.733 2.288 . . . . 72.5 112.294 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -100.87 140.2 35.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 62.54 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.53 ' HB ' HG13 ' A' ' 67' ' ' VAL . 36.3 mm -112.94 143.19 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.114 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -129.38 142.47 50.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 pt -140.56 101.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.104 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.75 -114.75 5.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 43.32 112.479 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -109.01 28.15 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 71.04 110.905 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -124.68 144.76 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 71.44 111.074 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.81 143.54 36.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.55 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG13 ' HB ' ' A' ' 60' ' ' ILE . 7.6 p -145.29 144.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.33 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.11 -72.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.32 112.5 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.9 -147.99 8.38 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.754 -0.736 . . . . 53.22 112.473 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.2 -32.31 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 64.54 110.908 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.81 -48.55 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 71.42 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.11 -43.36 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 43.4 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 25' ' ' LEU . 1.8 tt -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 62.33 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 24' ' ' ALA . 5.3 m-85 -74.45 -40.81 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.896 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.56 85.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 54.33 111.19 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.74 -41.25 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 71.53 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 25' ' ' LEU . 6.4 tm-20 -59.4 -41.34 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 70.3 110.907 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.21 -52.88 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.45 -25.29 66.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.45 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.72 54.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.823 -0.703 . . . . 73.21 112.558 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -129.93 21.48 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.1 110.945 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 ' HD3' ' A' ' 29' ' ' LYS . 2.7 pp -90.08 -35.77 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 52.51 110.908 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -53.99 -48.11 70.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 60.14 110.868 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -25.92 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 74.33 110.849 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 62' ' ' ILE . 5.4 tt -68.06 -35.54 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 60.42 110.822 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.38 -11.8 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.931 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -27.92 16.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 53.24 110.864 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.6 t -150.24 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 74.55 111.228 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.44 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 96.58 85.89 1.77 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.403 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.89 140.51 52.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 71.11 110.863 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -30.72 67.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.867 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.247 0.936 0 CA-C-O 116.54 -1.695 . . . . 50.23 111.34 -168.664 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.361 0.423 . . . . 64.13 112.539 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.36 19.08 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.716 2.278 . . . . 74.24 112.292 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.52 -153.89 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 70.12 112.459 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.62 157.47 37.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 74.23 110.855 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 27.3 mtm -148.43 176.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 64.22 110.891 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.651 HG21 ' O ' ' B' ' 88' ' ' THR . 29.4 m -90.99 -176.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.444 . . . . 65.24 111.105 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.23 149.44 7.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 53.42 110.831 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.538 HG22 HG22 ' B' ' 62' ' ' ILE . 60.6 t -84.27 132.91 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.146 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.616 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -130.9 146.27 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 74.35 111.036 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.484 HD11 ' CG ' ' B' ' 58' ' ' PRO . 12.9 tt -126.12 135.74 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.32 111.147 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.89 102.05 14.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.442 HG23 ' OE1' ' B' ' 35' ' ' GLU . 14.7 t -175.71 165.94 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 62.33 111.204 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.662 ' NH2' ' HA ' ' A' ' 16' ' ' CYS . 22.7 mtt85 -69.88 160.79 78.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 73.53 110.883 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.94 37.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 64.41 112.322 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.7 107.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 30.35 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t 164.59 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 C-N-CA 126.253 1.821 . . . . 73.41 113.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.16 -174.98 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 CA-C-N 118.456 0.484 . . . . 61.35 112.325 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -104.09 56.6 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 119.711 -1.868 . . . . 65.32 109.366 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 p -90.83 30.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.062 -0.972 . . . . 63.11 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.51 -25.83 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 34.04 111.156 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 26.2 mtt180 -66.44 -60.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.54 110.89 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.21 60.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.145 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.49 -25.72 57.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.946 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -51.68 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.151 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.563 HD11 ' HG3' ' B' ' 77' ' ' GLU . 14.6 tp -62.75 -42.83 99.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.834 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' B' ' 31' ' ' ALA . 14.0 mt -56.96 -24.18 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.3 110.927 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 53.21 111.098 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.04 -26.89 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 54.03 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.533 ' HD3' HD13 ' B' ' 82' ' ' LEU . 1.3 ptpm? -119.29 15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.889 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.51 28.26 20.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 33.53 112.507 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.78 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -62.79 160.75 13.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 63.23 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -96.92 147.04 24.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.872 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' B' ' 26' ' ' LEU . 12.0 p90 -155.74 153.62 30.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 64.13 110.853 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.39 128.41 48.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 75.22 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.442 ' OE1' HG23 ' B' ' 12' ' ' THR . 8.9 mm-40 -83.79 159.41 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.95 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.616 HD11 HG21 ' B' ' 9' ' ' ILE . 78.3 mt -139.63 108.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 72.04 111.188 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.84 105.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.929 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.43 178.4 6.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 62.4 111.139 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.31 26.34 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.82 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.03 -35.99 3.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.123 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.09 147.52 66.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.534 0.683 . . . . 72.41 111.151 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -16.78 37.85 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 74.55 112.374 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -75.8 -42.21 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.43 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.91 -57.75 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 73.02 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -26.57 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.936 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -50.67 28.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 65.52 111.121 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.47 -29.76 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.851 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.35 -26.2 21.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 54.31 110.903 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.3 69.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.54 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -74.45 -40.69 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 63.53 110.823 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.08 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 62.35 110.841 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -53.03 132.63 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 63.15 110.926 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.89 -75.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 63.14 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.55 154.61 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 73.43 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -112.83 27.3 9.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.932 0.396 . . . . 72.32 110.287 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -42.97 26.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.891 0.376 . . . . 61.35 111.118 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -139.64 157.3 70.36 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.617 0.722 . . . . 73.43 110.87 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.484 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 72.5 112.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -100.89 140.29 35.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 62.54 110.897 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.538 ' HB ' HG13 ' B' ' 67' ' ' VAL . 36.2 mm -112.95 143.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.53 111.131 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.34 142.48 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.538 HG22 HG22 ' B' ' 8' ' ' VAL . 2.4 pt -140.58 101.47 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 72.41 111.055 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.65 -114.62 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 43.32 112.515 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.7 m -109.09 27.99 8.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.917 0.389 . . . . 71.04 110.816 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -124.56 144.84 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 71.44 111.122 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.77 143.5 36.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.896 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.538 HG13 ' HB ' ' B' ' 60' ' ' ILE . 7.5 p -145.37 144.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 54.33 111.113 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.17 -72.55 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 54.32 112.461 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.95 -147.95 8.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 53.22 112.422 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.28 -32.12 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 64.54 110.823 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -55.07 -48.47 73.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.42 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.09 -43.35 15.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 43.4 110.893 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.516 HD21 HD23 ' B' ' 25' ' ' LEU . 1.9 tt -51.69 -35.85 44.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 62.33 110.919 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.477 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 5.3 m-85 -74.44 -40.81 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.879 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.51 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 54.33 111.182 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.73 -41.2 73.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.53 110.961 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.563 ' HG3' HD11 ' B' ' 25' ' ' LEU . 6.4 tm-20 -59.38 -41.43 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 70.3 110.878 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.2 -52.83 62.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.843 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.52 -25.27 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 72.45 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.78 54.75 1.38 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.793 -0.717 . . . . 73.21 112.58 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -130.03 21.53 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.729 0.3 . . . . 74.1 110.867 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.533 HD13 ' HD3' ' B' ' 29' ' ' LYS . 2.7 pp -90.12 -35.77 15.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 52.51 110.898 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -53.9 -48.22 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 60.14 110.83 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -25.93 42.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.838 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.469 ' HG ' HG21 ' B' ' 62' ' ' ILE . 5.5 tt -67.95 -35.48 78.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 60.42 110.99 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.55 -11.62 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.885 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 -27.99 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 53.24 110.893 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.651 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.6 t -150.27 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 74.55 111.199 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.438 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 96.52 85.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.33 112.471 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.85 140.42 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 71.11 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 107.041 -1.466 . . . . 50.23 107.041 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 121.393 0.44 . . . . 41.13 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 -173.09 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 65.04 112.374 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.2 147.5 4.75 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.711 -0.757 . . . . 71.24 112.487 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 m -117.0 77.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 74.32 110.881 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm -172.01 175.37 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 74.03 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -93.05 -173.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 74.03 111.133 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.34 146.03 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.831 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 62' ' ' ILE . 21.0 t -95.37 150.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.138 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' ILE . 3.4 mp -139.82 152.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.53 111.172 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.732 HD11 ' CG ' ' A' ' 58' ' ' PRO . 14.1 tt -132.49 136.33 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.141 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.7 m-85 -98.89 99.59 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.95 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.01 175.86 1.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.184 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -61.79 160.82 25.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 63.21 110.842 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.64 -13.66 35.3 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 64.21 112.325 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.1 109.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.659 -0.781 . . . . 74.42 112.454 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.696 ' CA ' HH21 ' B' ' 13' ' ' ARG . 0.1 OUTLIER 174.0 -78.64 0.0 OUTLIER Pre-proline 0 N--CA 1.423 -1.785 0 N-CA-C 104.302 -2.481 . . . . 75.02 104.302 178.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -53.21 175.93 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.383 2.722 . . . . 72.13 112.35 -173.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -86.55 93.57 9.22 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.72 -1.863 . . . . 74.53 107.83 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -131.76 32.82 4.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.084 -1.871 . . . . 75.22 110.822 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -22.69 31.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.2 -49.69 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.81 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.1 111.133 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.04 -25.07 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 65.35 110.896 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.52 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 43.23 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD2' HD21 ' A' ' 73' ' ' LEU . 21.2 tp -53.08 -45.57 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.97 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.724 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.7 mt -58.0 -23.09 52.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.898 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.9 -19.82 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 65.32 111.171 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.25 49.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.912 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 1.1 ptpm? -119.11 15.61 13.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 55.01 110.823 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.82 22.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 70.14 112.454 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -63.01 169.83 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 63.33 111.061 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 159.05 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.824 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.91 151.29 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -134.48 124.73 26.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 70.51 110.918 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.07 156.98 28.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 64.21 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.613 HG22 HD21 ' A' ' 44' ' ' LEU . 24.8 mt -137.23 109.98 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 65.32 111.082 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.17 113.79 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.819 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.57 -179.65 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 62.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.74 23.46 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.796 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.69 9.79 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 51.12 111.05 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.56 148.67 2.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 74.42 111.136 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -11.94 31.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 72.21 112.374 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 63.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.613 HD21 HG22 ' A' ' 36' ' ' ILE . 8.4 mp -62.19 -55.31 29.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.913 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -51.63 -42.41 62.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.925 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.44 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 61.12 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.68 -60.35 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.903 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.8 -26.22 63.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.92 -26.1 66.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.931 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.05 -40.52 61.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.91 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.65 -50.2 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.85 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.47 48.57 14.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.876 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.09 174.67 39.05 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.731 -0.747 . . . . 72.1 112.434 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.52 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 60.11 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.44 44.83 0.62 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.971 0.909 . . . . 54.42 111.997 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p -80.3 -172.12 3.35 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 120.453 -1.405 . . . . 70.52 111.165 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.63 156.91 2.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.747 0.784 . . . . 55.23 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.732 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.77 169.02 19.9 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.634 2.222 . . . . 52.42 112.285 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.59 140.63 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.24 110.9 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mm -107.85 144.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.35 111.148 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.77 106.58 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.863 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.614 HG22 HG22 ' A' ' 8' ' ' VAL . 11.1 pt -116.92 125.82 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.35 111.061 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.89 39.61 62.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 74.31 112.463 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.33 21.78 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 62.32 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.556 ' CG1' HD23 ' A' ' 91' ' ' LEU . 26.3 t -102.54 146.28 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 74.53 111.234 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.92 129.47 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.894 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 69' ' ' GLY . 58.8 t -130.82 131.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.103 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.2 36.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 70.51 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 145.67 -148.51 20.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 70.31 112.525 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -61.24 -37.4 82.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 73.45 110.862 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.83 -43.02 63.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.94 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.19 -45.2 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 74.05 110.964 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -51.82 -41.86 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.998 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.45 -42.86 70.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 75.23 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.13 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 44.3 111.062 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.7 -44.21 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 72.44 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' HD11 ' A' ' 25' ' ' LEU . 4.0 tm-20 -61.08 -39.64 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.834 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.93 -49.52 72.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 55.34 110.871 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -65.84 -26.82 67.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.888 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.42 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -127.8 23.99 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 71.04 110.75 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.02 -39.57 61.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.332 -0.394 . . . . 75.21 110.922 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.24 -51.11 63.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.3 110.952 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -27.83 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.819 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -67.03 -41.33 86.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.952 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.65 -19.87 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.949 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.11 -24.26 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 64.45 110.852 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.5 p -147.94 -53.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.126 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 104.68 110.46 3.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 62.51 112.529 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -134.46 127.68 31.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 72.02 110.94 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.556 HD23 ' CG1' ' A' ' 65' ' ' VAL . 2.0 pp -61.38 -35.33 77.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.99 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.2 tt . . . . . 0 C--O 1.258 1.504 0 O-C-N 117.505 -3.247 . . . . 73.3 116.291 -173.92 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 CA-C-O 121.463 0.479 . . . . 41.13 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.76 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 65.04 112.288 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.24 147.45 4.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 71.24 112.499 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 40.9 m -116.91 77.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.8 0.334 . . . . 74.32 110.857 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm -172.03 175.34 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.03 110.878 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.05 -173.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.03 111.155 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.39 146.01 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 75.22 110.874 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.609 HG22 HG22 ' B' ' 62' ' ' ILE . 21.2 t -95.31 150.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 75.45 111.097 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.472 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -139.87 152.99 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.53 111.175 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.714 HD11 ' CG ' ' B' ' 58' ' ' PRO . 14.1 tt -132.45 136.28 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 64.21 111.197 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.491 ' CD1' HD12 ' B' ' 36' ' ' ILE . 12.6 m-85 -98.9 99.63 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.936 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.0 175.84 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 63.34 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.696 HH21 ' CA ' ' A' ' 16' ' ' CYS . 34.0 mtt85 -61.8 160.83 25.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 63.21 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -13.67 35.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.285 . . . . 64.21 112.4 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.14 108.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.652 -0.785 . . . . 74.42 112.431 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.748 ' SG ' 'AG ' ' B' ' 101' ' ' ' AG' . 93.5 m 172.72 -58.19 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 O-C-N 119.536 -2.155 . . . . 75.02 109.081 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.79 176.16 7.94 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.676 1.584 . . . . 72.13 112.39 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -78.34 88.23 4.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.147 0.498 . . . . 74.53 111.214 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.92 32.91 3.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.828 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -22.6 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.113 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -63.23 -49.71 73.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.821 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.85 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.1 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.06 -24.98 66.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 65.35 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.55 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 43.23 111.135 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.488 HD23 HD21 ' B' ' 73' ' ' LEU . 20.8 tp -53.04 -45.67 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 70.44 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' B' ' 31' ' ' ALA . 13.6 mt -58.0 -23.04 52.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.911 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.94 -19.85 24.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 65.32 111.152 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -27.2 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.912 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 1.1 ptpm? -119.12 15.58 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 55.01 110.885 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.92 22.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 70.14 112.439 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.734 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -63.06 169.85 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 63.33 111.104 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.33 159.02 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -169.9 151.3 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -134.5 124.69 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 70.51 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.02 156.93 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.21 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.644 HG22 HD21 ' B' ' 44' ' ' LEU . 24.7 mt -137.15 110.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 65.32 111.133 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.15 113.82 6.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.807 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.61 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 62.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.63 23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.836 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.66 9.8 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 51.12 111.077 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.57 148.67 2.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 74.42 111.152 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.95 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.289 . . . . 72.21 112.319 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.92 -55.82 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 63.31 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.644 HD21 HG22 ' B' ' 36' ' ' ILE . 8.4 mp -62.17 -55.24 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 71.21 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -51.7 -42.43 62.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.904 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.4 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.12 111.117 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.72 -60.36 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.76 -26.3 63.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 72.43 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.85 -26.11 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.3 110.889 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.56 -50.33 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.846 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.54 48.55 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.54 39.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 72.1 112.462 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.39 -172.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 60.11 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -85.1 54.8 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.262 -1.524 . . . . 54.42 111.592 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -80.73 -172.05 3.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.653 -1.158 . . . . 70.52 111.184 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.7 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.732 0.777 . . . . 55.23 110.811 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.714 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.6 Cg_endo -69.68 168.97 19.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 52.42 112.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.57 140.61 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.82 144.23 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 75.35 111.23 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.69 106.53 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.609 HG22 HG22 ' B' ' 8' ' ' VAL . 11.2 pt -116.88 125.85 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.35 111.086 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.85 39.67 62.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.31 112.442 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.34 21.72 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 62.32 110.832 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.542 ' CG1' HD23 ' B' ' 91' ' ' LEU . 26.7 t -102.5 146.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 74.53 111.137 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.97 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.502 HG12 ' H ' ' B' ' 69' ' ' GLY . 59.0 t -130.77 131.42 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.175 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.09 36.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 70.51 112.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.502 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 145.63 -148.48 20.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.573 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 96.7 p -61.23 -37.46 83.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.367 . . . . 73.45 110.857 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.76 -43.09 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.874 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.25 -45.22 11.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.877 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.488 HD21 HD23 ' B' ' 25' ' ' LEU . 1.1 tt -51.73 -41.9 61.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.48 -42.86 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.11 69.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 44.3 111.082 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.63 -44.28 94.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.479 ' HG3' HD11 ' B' ' 25' ' ' LEU . 4.0 tm-20 -61.04 -39.63 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.86 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.06 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 55.34 110.765 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -65.78 -26.83 67.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.956 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.48 2.01 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.83 -0.7 . . . . 64.11 112.503 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -127.78 23.87 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 71.04 110.798 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.06 -39.42 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.21 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.31 -51.22 63.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 73.3 110.897 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -27.84 65.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' B' ' 62' ' ' ILE . 0.7 OUTLIER -66.99 -41.39 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 64.22 110.972 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.63 -19.88 25.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.16 -24.13 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.874 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 68.6 p -148.0 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 63.03 111.168 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.455 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 104.71 110.48 3.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 62.51 112.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' B' ' 92' ' ' ILE . 16.7 tppt? -134.47 127.57 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 72.02 110.933 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.542 HD23 ' CG1' ' B' ' 65' ' ' VAL . 2.0 pp -61.36 -30.19 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 72.11 110.894 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.408 ' H ' ' HG3' ' B' ' 90' ' ' LYS . 18.7 tt . . . . . 0 N--CA 1.489 1.486 0 O-C-N 116.82 -3.675 . . . . 73.3 117.111 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . 0.748 'AG ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.454 0.474 . . . . 74.12 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.61 2.206 . . . . 60.31 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.19 111.44 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 61.22 112.449 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m -98.74 26.69 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 75.44 110.803 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.3 mmm -73.18 169.5 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.87 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.19 -179.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 54.22 111.116 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -153.69 136.72 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.828 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.52 138.74 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.14 111.119 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.652 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.5 mp -139.44 150.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 53.35 111.143 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' CE ' ' A' ' 23' ' ' LYS . 20.8 tt -137.63 136.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.105 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CD1' HD12 ' A' ' 36' ' ' ILE . 10.5 m-85 -90.86 116.03 28.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.631 HG21 ' SG ' ' A' ' 19' ' ' CYS . 2.3 t 179.75 158.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 64.34 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.47 160.64 81.91 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 72.03 110.884 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 78.47 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.576 2.184 . . . . 64.54 112.422 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 101.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 24.24 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.624 ' HB3' ' CZ ' ' B' ' 13' ' ' ARG . 0.5 OUTLIER 167.58 -48.98 0.0 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 118.319 2.711 . . . . 74.44 118.319 178.315 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD3' ' SG ' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -72.77 -168.81 0.43 Allowed 'Trans proline' 0 C--N 1.332 -0.313 0 C-N-CA 120.56 0.84 . . . . 71.34 112.35 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -90.57 63.42 5.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.39 1.091 . . . . 75.3 109.812 -174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.631 ' SG ' HG21 ' A' ' 12' ' ' THR . 7.4 t -109.22 32.99 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.137 -0.938 . . . . 74.12 110.857 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -90.21 -23.04 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 61.22 111.061 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -77.81 -57.13 3.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.42 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 64.55 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' HG21 ' A' ' 10' ' ' ILE . 7.7 mmtp -66.46 -36.64 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.839 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -51.66 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.21 111.123 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.711 HD11 ' HG3' ' A' ' 77' ' ' GLU . 16.7 tp -56.74 -48.04 78.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.32 110.877 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.6 mt -55.94 -25.52 43.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.936 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -22.76 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.159 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.9 -28.04 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.946 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 13.4 ptpt -111.93 14.25 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.31 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.97 28.01 23.49 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.62 -0.8 . . . . 72.42 112.512 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -71.13 156.27 39.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 60.42 111.137 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.93 146.63 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 73.34 110.865 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.04 152.94 30.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -128.16 128.82 45.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.22 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.76 160.09 24.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.652 HD11 ' CG2' ' A' ' 9' ' ' ILE . 53.3 mt -136.89 123.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 71.14 111.094 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.01 105.13 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.803 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.24 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.37 23.54 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.86 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.56 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 73.43 111.054 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 HG23 HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -141.13 154.6 68.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 74.43 111.131 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.651 2.234 . . . . 61.04 112.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.26 -44.56 83.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.876 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.0 mm? -88.06 -47.93 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.931 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.95 -30.22 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.796 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.2 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.064 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -64.75 -44.15 91.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 53.2 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.07 -26.1 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.3 110.854 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -63.24 -26.07 68.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 61.25 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.17 -40.94 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.55 10.16 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.962 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 t -52.96 112.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 71.13 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.99 -56.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 65.15 112.529 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -133.34 139.44 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 75.34 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -125.02 36.47 4.59 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 117.218 -3.427 . . . . 75.24 107.711 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -71.49 -51.06 25.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.24 -1.345 . . . . 74.13 111.133 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.21 157.62 55.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 62.53 110.923 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 175.82 7.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 75.32 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.32 124.49 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 62.44 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.1 mm -89.94 150.17 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 63.04 111.22 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -139.48 140.89 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 65.52 110.935 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' C ' ' A' ' 89' ' ' GLY . 1.2 pt -147.06 115.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.089 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.43 -116.89 6.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 73.02 112.529 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.32 25.84 11.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 72.41 110.815 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.0 t -113.03 143.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 65.42 111.142 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -109.97 116.67 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.891 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -140.77 89.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 65.14 111.083 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.04 112.447 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.67 111.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 42.51 112.513 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -53.4 -30.57 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 55.04 110.818 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -74.39 -32.18 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.916 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -67.96 -36.81 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.807 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.95 -38.32 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 63.52 110.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.56 -34.77 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.3 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 62.04 111.057 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.3 -41.33 84.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.711 ' HG3' HD11 ' A' ' 25' ' ' LEU . 3.2 tm-20 -62.03 -40.01 94.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.893 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.39 -54.86 26.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.777 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.08 -26.26 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.848 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.01 48.35 2.09 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.819 -0.705 . . . . 61.3 112.466 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.45 25.81 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 73.01 110.982 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.09 -35.75 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.3 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.8 -49.67 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 72.42 110.894 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.88 -26.22 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.815 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.78 -47.56 74.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.972 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.83 60.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.822 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.12 -37.22 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.936 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.71 -41.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 75.34 111.168 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.477 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 109.45 111.27 3.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 71.24 112.521 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.73 147.01 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 72.23 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -87.98 -32.0 19.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 74.43 110.923 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.255 1.394 0 N-CA-C 104.039 -2.578 . . . . 75.3 104.039 -173.063 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 121.406 0.448 . . . . 74.12 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 60.31 112.305 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.1 111.34 1.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 61.22 112.55 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -98.68 26.71 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 75.44 110.806 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 20.2 mmm -73.17 169.4 17.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.08 -180.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 54.22 111.187 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.65 136.69 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.34 110.878 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -87.37 138.76 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 64.14 111.16 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.645 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.5 mp -139.46 150.77 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 53.35 111.131 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.429 HG21 ' CE ' ' B' ' 23' ' ' LYS . 20.7 tt -137.67 136.76 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.145 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' B' ' 36' ' ' ILE . 10.4 m-85 -90.9 116.1 28.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.865 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.636 HG21 ' SG ' ' B' ' 19' ' ' CYS . 2.3 t 179.65 158.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 64.34 111.194 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.28 160.63 82.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 72.03 110.807 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.47 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.581 2.188 . . . . 64.54 112.434 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.4 105.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.728 -0.749 . . . . 24.24 112.515 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.323 7.7 p 156.37 -37.59 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 C-N-CA 129.367 3.067 . . . . 74.44 117.133 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.87 -174.11 0.87 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 116.69 -1.74 . . . . 71.34 112.353 168.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -79.01 66.84 4.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.234 1.016 . . . . 75.3 111.705 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.636 ' SG ' HG21 ' B' ' 12' ' ' THR . 7.4 t -114.57 32.95 5.62 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.484 -0.76 . . . . 74.12 110.856 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' B' ' 24' ' ' ALA . . . -90.08 -23.06 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.22 111.107 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -77.88 -56.99 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.943 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -46.39 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 64.55 111.103 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.429 ' CE ' HG21 ' B' ' 10' ' ' ILE . 7.7 mmtp -66.41 -36.61 83.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 71.25 110.915 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -51.71 -59.79 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.067 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.716 HD11 ' HG3' ' B' ' 77' ' ' GLU . 16.7 tp -56.81 -47.89 79.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.918 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' B' ' 31' ' ' ALA . 13.6 mt -55.96 -25.54 44.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.928 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.77 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.2 111.157 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.86 -28.1 58.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 62.14 110.91 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 13.4 ptpt -111.88 14.2 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.828 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 28.13 23.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 72.42 112.527 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.501 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -71.15 156.26 39.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 60.42 111.168 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -93.93 146.58 23.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.814 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.05 153.02 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.857 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -128.1 128.88 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 70.22 110.92 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.83 160.07 24.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 75.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.645 HD11 ' CG2' ' B' ' 9' ' ' ILE . 53.8 mt -136.93 123.96 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 71.14 111.117 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.96 105.09 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.26 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.067 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.39 23.46 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.9 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.05 -35.48 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.071 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.42 HG23 HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -141.09 154.6 68.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 74.43 111.144 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -8.14 22.85 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.772 2.314 . . . . 61.04 112.355 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.3 -44.48 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 44' ' ' LEU . 2.0 mm? -88.17 -47.85 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.937 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -52.07 -30.18 24.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 71.02 110.776 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 71.34 111.17 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.78 -44.26 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.2 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.01 -26.06 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 73.3 110.938 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -63.26 -26.09 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 61.25 110.982 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.11 -40.92 19.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 63.32 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.56 10.18 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -52.96 112.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 71.13 110.834 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.02 -56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 65.15 112.463 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -133.27 141.01 47.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.367 . . . . 75.34 110.864 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -113.21 16.1 19.22 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 125.135 1.522 . . . . 75.24 111.468 -174.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -77.22 -51.0 11.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.168 -172.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.22 157.7 55.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 62.53 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.88 175.79 7.73 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.716 2.277 . . . . 75.32 112.272 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.25 124.48 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 62.44 110.95 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.9 150.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 63.04 111.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -139.5 140.91 37.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 65.52 110.999 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.48 HD12 ' C ' ' B' ' 89' ' ' GLY . 1.2 pt -147.14 115.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.114 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.35 -116.85 6.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 73.02 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.28 25.87 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 72.41 110.8 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.94 143.54 22.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.42 111.166 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -110.12 116.64 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -140.72 89.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.492 . . . . 65.14 111.093 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.71 81.63 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 73.04 112.448 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.68 111.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.85 -0.69 . . . . 42.51 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 62.0 p -53.35 -30.56 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 55.04 110.825 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.42 -32.14 62.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.96 -36.87 80.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 74.11 110.751 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.99 -38.31 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 63.52 110.911 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.54 -34.75 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.25 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 62.04 111.111 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.38 -41.29 84.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.892 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.716 ' HG3' HD11 ' B' ' 25' ' ' LEU . 3.2 tm-20 -62.01 -40.07 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.924 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.31 -54.88 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.843 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.13 -26.12 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.854 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.91 48.37 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.802 -0.713 . . . . 61.3 112.534 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.52 25.86 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 73.01 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.12 -35.79 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 62.3 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.73 -49.74 61.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.86 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.82 -26.28 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.815 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.68 -47.68 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.7 60.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 71.21 110.906 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -37.26 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.864 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.69 -41.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 111.12 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.48 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 109.44 111.18 3.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 71.24 112.497 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 72.23 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.406 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.4 OUTLIER -87.98 -31.76 19.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 74.43 110.948 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.255 1.372 0 N-CA-C 105.189 -2.152 . . . . 75.3 105.189 -171.527 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.416 0.453 . . . . 61.24 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.648 2.232 . . . . 40.33 112.373 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.89 124.77 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.769 -0.729 . . . . 53.31 112.431 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -161.8 129.79 4.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.937 0.399 . . . . 64.13 110.813 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.4 mtm -101.54 -171.66 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 74.32 110.877 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -62.87 142.27 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 73.24 111.135 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -128.77 147.56 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 53.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG22 HG23 ' A' ' 62' ' ' ILE . 18.5 t -87.75 130.99 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.123 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 36' ' ' ILE . 3.6 mp -127.62 151.03 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 62.25 111.121 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.66 137.44 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 72.02 111.141 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.72 107.58 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 74.15 110.935 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.648 HG21 ' SG ' ' A' ' 19' ' ' CYS . 14.7 t -175.68 160.57 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.14 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -78.92 161.94 66.75 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 107.53 -1.285 . . . . 74.1 107.53 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.01 -8.96 25.03 Favored 'Trans proline' 0 C--N 1.355 0.899 1 C-N-CA 128.481 6.121 . . . . 50.41 112.412 -176.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.58 105.63 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.656 -0.783 . . . . 73.54 112.528 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 159.49 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.77 0 C-N-CA 129.087 2.955 . . . . 51.02 115.946 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.3 178.26 4.46 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 116.785 -1.677 . . . . 75.42 112.383 172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -89.73 63.19 6.06 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.947 -1.096 . . . . 64.14 112.159 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.648 ' SG ' HG21 ' A' ' 12' ' ' THR . 7.7 t -91.63 36.65 0.95 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.055 -1.028 . . . . 50.12 110.975 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -90.0 -24.63 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 72.04 111.067 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.52 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 55.45 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -60.54 -37.59 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 63.33 111.071 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.76 -24.68 41.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 74.53 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -54.68 -53.82 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 60.13 111.185 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.659 HD22 HD21 ' A' ' 73' ' ' LEU . 2.2 tt -70.37 -48.18 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 25' ' ' LEU . 15.9 mt -51.79 -42.18 62.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 51.53 110.923 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.09 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.32 111.15 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.42 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 64.31 110.923 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.606 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.4 mtmp? -107.01 -16.01 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 74.51 110.843 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.06 79.04 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.748 -0.739 . . . . 72.13 112.467 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.25 156.69 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 70.2 111.132 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -93.94 125.22 38.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.913 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.33 152.6 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 65.43 110.959 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -127.58 128.43 45.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.94 156.83 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 71.45 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 9' ' ' ILE . 72.1 mt -139.04 139.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 74.12 111.203 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.96 95.27 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.8 180.0 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.986 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.3 21.24 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.854 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.39 -4.6 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 64.3 111.122 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.433 HG23 HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -174.03 152.14 1.85 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 22.41 111.209 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.68 -8.12 22.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 74.42 112.38 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -47.35 76.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.42 . . . . 71.4 110.82 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -86.17 -47.03 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.883 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.45 -30.07 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -57.17 -56.08 26.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 25.13 111.043 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.75 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.904 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.1 ttm -63.25 -25.43 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 61.02 110.858 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.59 -25.7 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 64.53 110.903 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.61 -54.06 46.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.892 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.46 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 p 58.73 26.35 14.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.87 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.33 -142.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 74.34 112.441 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.25 158.09 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 72.13 110.818 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.39 20.97 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.539 0.685 . . . . 62.32 110.521 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 p -69.33 -34.83 75.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.433 -0.792 . . . . 60.24 111.159 -177.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -128.86 157.38 75.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 70.33 110.983 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.0 29.0 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 72.14 112.296 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -90.2 123.87 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.63 144.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.31 111.076 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 147.01 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.742 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.3 mt -145.39 118.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 60.44 111.122 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.38 -99.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 22.52 112.487 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.89 32.26 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 71.01 110.761 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 62' ' ' ILE . 7.1 p -116.45 150.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.7 128.47 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -131.53 124.32 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 53.24 111.129 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.6 -83.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 51.42 112.487 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.58 12.41 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.725 -0.75 . . . . 70.34 112.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -52.36 -30.17 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 41.31 110.932 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.02 -41.47 62.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.32 110.801 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.34 -46.41 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.659 HD21 HD22 ' A' ' 25' ' ' LEU . 1.9 tt -52.07 -40.43 61.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.942 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -70.92 -40.9 71.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.77 69.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.54 111.034 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.07 -41.8 88.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.952 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' CD ' HD12 ' A' ' 25' ' ' LEU . 35.8 tt0 -57.53 -30.2 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.844 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -50.01 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 62.34 110.919 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.24 -26.76 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 71.22 110.895 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.07 46.17 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.527 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.88 28.85 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 74.31 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.8 pp -87.85 -37.95 16.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 53.21 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.2 t0 -54.74 -57.24 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.896 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -68.54 -20.43 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.1 tt -73.72 -49.09 27.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 62.12 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.4 pp -74.93 -16.33 60.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -40.22 11.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 62.41 110.986 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.63 -46.86 1.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.098 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.01 108.89 2.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 75.34 112.434 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -142.42 149.47 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 51.14 110.905 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -90.51 -22.98 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 53.13 110.954 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.246 0.9 0 C-N-CA 122.703 0.401 . . . . 64.45 110.235 -171.075 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 121.406 0.448 . . . . 61.24 112.458 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.575 2.183 . . . . 40.33 112.484 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.82 124.68 6.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 53.31 112.486 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.7 m -161.73 129.76 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 64.13 110.906 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 25.4 mtm -101.59 -171.68 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.848 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -62.96 142.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 73.24 111.141 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -128.76 147.55 50.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.422 HG22 HG23 ' B' ' 62' ' ' ILE . 18.6 t -87.77 131.0 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.421 HG21 HD11 ' B' ' 36' ' ' ILE . 3.6 mp -127.56 150.99 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 62.25 111.19 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.61 137.4 35.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 72.02 111.166 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.81 107.61 19.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.892 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.638 HG21 ' SG ' ' B' ' 19' ' ' CYS . 14.7 t -175.67 164.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.135 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.55 159.7 60.68 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 106.791 -1.559 . . . . 74.1 106.791 -175.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.4 -8.73 22.99 Favored 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 127.634 5.556 . . . . 50.41 112.369 -175.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.54 106.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 73.54 112.475 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 t 159.67 -49.58 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 C-N-CA 127.616 2.366 . . . . 51.02 116.008 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.13 179.07 2.08 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 116.54 -1.84 . . . . 75.42 112.371 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.39 76.75 5.16 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.186 -1.413 . . . . 64.14 107.186 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.638 ' SG ' HG21 ' B' ' 12' ' ' THR . 7.8 t -103.06 36.7 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.601 . . . . 50.12 110.934 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' B' ' 24' ' ' ALA . . . -89.96 -24.6 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.04 111.146 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.54 -53.23 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 55.45 110.861 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.417 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -60.45 -37.64 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 63.33 111.15 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.75 -24.73 41.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -54.64 -53.77 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 60.13 111.153 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.664 HD22 HD21 ' B' ' 73' ' ' LEU . 2.2 tt -70.44 -48.23 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.874 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.487 ' N ' HD23 ' B' ' 25' ' ' LEU . 15.8 mt -51.83 -42.2 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 51.53 110.844 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.64 -33.94 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 73.32 111.179 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -25.48 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.31 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.599 ' HD2' HD13 ' B' ' 82' ' ' LEU . 4.4 mtmp? -106.95 -16.09 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.32 11.02 79.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 72.13 112.486 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.21 156.72 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 70.2 111.069 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -94.01 125.23 38.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.868 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.32 152.65 48.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 65.43 110.892 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.6 128.47 45.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.93 156.78 19.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.421 HD11 HG21 ' B' ' 9' ' ' ILE . 72.2 mt -139.02 139.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.166 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.98 95.24 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.858 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.73 179.97 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.54 111.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.28 21.35 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.848 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.403 ' C ' HG22 ' B' ' 41' ' ' THR . . . -123.44 -4.58 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.3 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.432 HG23 HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -174.0 152.18 1.87 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 22.41 111.175 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' B' ' 46' ' ' ALA . 54.4 Cg_endo -69.66 -8.26 23.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 74.42 112.389 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -47.53 76.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.804 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 44' ' ' LEU . 2.1 mm? -86.13 -47.09 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.906 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.43 -30.01 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -57.26 -56.02 27.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 25.13 111.057 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.81 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.19 -25.45 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 61.02 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.57 -25.7 67.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.53 110.949 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.56 -54.2 44.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.867 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.43 -59.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.89 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.2 p 58.62 26.48 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.835 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.4 -142.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.663 -0.779 . . . . 74.34 112.384 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -56.15 158.75 3.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 72.13 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -125.17 19.26 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.321 -0.854 . . . . 62.32 111.5 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 4.5 p -68.91 -34.71 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.953 -0.467 . . . . 60.24 111.155 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -129.0 157.39 75.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 70.33 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 166.08 28.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.273 . . . . 72.14 112.33 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -90.29 123.83 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 51.41 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.9 mm -95.63 144.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.088 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 146.94 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.765 ' O ' HG12 ' B' ' 65' ' ' VAL . 9.1 mt -145.26 118.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 60.44 111.242 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.29 -99.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 22.52 112.543 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.83 32.2 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 71.01 110.759 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.765 HG12 ' O ' ' B' ' 62' ' ' ILE . 7.0 p -116.5 150.02 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 75.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.8 128.41 45.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.768 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -131.44 124.34 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.58 -83.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 51.42 112.533 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.57 12.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.442 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -52.37 -30.27 28.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 41.31 110.891 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.96 -41.42 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 72.32 110.801 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.43 -46.41 10.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 65.25 110.835 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.664 HD21 HD22 ' B' ' 25' ' ' LEU . 1.9 tt -52.11 -40.44 61.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.927 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -70.85 -40.96 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.912 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.66 69.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 75.54 111.09 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.11 -41.83 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.937 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.426 ' CD ' HD12 ' B' ' 25' ' ' LEU . 35.7 tt0 -57.54 -30.12 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.864 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.49 -50.16 13.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 62.34 110.821 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -62.15 -26.8 68.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.891 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.01 46.25 2.9 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.7 -0.762 . . . . 74.3 112.512 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.92 28.85 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.599 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.8 pp -87.8 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 53.21 110.959 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.446 ' N ' HD12 ' B' ' 82' ' ' LEU . 2.1 t0 -54.77 -57.27 12.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.91 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -68.52 -20.45 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 61.42 110.803 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.449 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.1 tt -73.71 -49.05 27.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 62.12 110.871 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.449 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.4 pp -75.01 -16.24 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.2 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 62.41 110.912 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -128.56 -46.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.423 . . . . 71.23 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.94 108.93 2.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.481 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -142.47 149.53 39.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 51.14 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.558 ' H ' HD23 ' B' ' 91' ' ' LEU . 1.0 OUTLIER -90.56 -23.61 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 53.13 110.983 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--O 1.248 0.977 0 N-CA-C 106.015 -1.846 . . . . 64.45 106.015 -172.714 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.437 0.465 . . . . 60.25 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 126.66 13.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 73.3 112.372 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.62 155.22 16.4 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.812 -0.709 . . . . 70.41 112.516 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 m -113.66 74.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 73.4 110.862 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 17.4 ptm -173.06 149.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 71.42 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.66 -175.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 74.1 111.087 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.09 152.09 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.551 HG22 HG22 ' A' ' 62' ' ' ILE . 22.9 t -90.2 136.17 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.089 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.44 136.73 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 52.02 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.508 HG21 ' CE ' ' A' ' 23' ' ' LYS . 13.7 tt -124.24 135.71 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 73.32 111.15 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.83 101.07 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.59 148.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 73.11 111.122 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.6 159.95 1.53 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 74.15 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 79.93 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.701 2.268 . . . . 54.21 112.37 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.83 100.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 52.02 112.505 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.546 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 m 179.94 -55.96 0.0 OUTLIER Pre-proline 0 CA--C 1.586 2.358 0 O-C-N 116.961 -3.67 . . . . 63.0 105.823 -159.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 16' ' ' CYS . 53.1 Cg_endo -95.63 -172.66 0.24 Allowed 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 132.933 9.089 . . . . 62.13 112.393 -177.547 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -79.82 54.07 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.553 0.692 . . . . 75.54 111.959 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.99 29.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.06 -1.025 . . . . 75.03 110.881 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.59 -26.09 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.09 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -62.43 -58.74 6.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.56 73.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 54.23 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' CE ' HG21 ' A' ' 10' ' ' ILE . 18.2 mmtp -60.56 -44.71 95.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 61.12 110.916 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.27 9.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 63.04 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.029 HD22 HD21 ' A' ' 73' ' ' LEU . 3.3 tt -57.13 -44.8 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 50.32 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 31' ' ' ALA . 7.4 mt -55.71 -28.47 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.928 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.78 -23.36 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 74.35 111.17 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.41 -25.08 59.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 65.23 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HD2' HD13 ' A' ' 82' ' ' LEU . 6.4 ptmt -112.86 11.3 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.819 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.02 50.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 51.43 112.45 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -84.43 155.23 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 73.11 111.066 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.78 122.11 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.2 110.889 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -125.26 153.81 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.893 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.72 119.04 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.3 154.95 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 64.3 110.79 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.573 HG21 HD11 ' A' ' 44' ' ' LEU . 61.3 mt -137.9 143.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.096 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.29 89.96 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 64.42 110.804 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.86 178.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 54.12 111.111 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 t 63.09 17.02 9.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.865 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.54 -10.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -164.7 154.4 11.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 62.52 111.172 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.75 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.654 2.236 . . . . 74.41 112.285 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.1 -49.18 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 65.33 110.967 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.573 HD11 HG21 ' A' ' 36' ' ' ILE . 4.0 mm? -60.89 -57.26 13.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.873 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -25.71 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.55 110.889 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -69.58 -41.6 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.41 111.06 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.42 -36.0 71.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 74.02 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.8 mtm -78.94 -27.57 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.15 110.905 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.51 -26.85 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 65.25 110.911 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.11 -43.2 63.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -107.02 -59.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.44 110.926 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.63 50.99 10.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 70.41 110.945 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -153.74 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 53.34 112.518 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -57.72 176.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 72.24 110.791 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' B' ' 18' ' ' TYR . 23.6 m120 -129.17 27.74 5.34 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.222 -1.549 . . . . 75.22 110.372 177.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.71 -45.62 35.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 61.1 111.148 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.86 157.39 71.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.658 0.742 . . . . 71.44 110.905 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.8 174.66 9.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 61.2 112.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.98 128.16 45.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.48 HD13 HG13 ' A' ' 10' ' ' ILE . 42.0 mm -101.57 144.9 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 60.44 111.146 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.06 124.31 21.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.04 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.682 HD13 HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -129.65 99.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 64.31 111.116 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.97 52.44 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.5 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.3 m 59.33 21.27 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 74.2 110.789 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.71 143.56 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.064 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.56 120.43 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 42.22 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.8 128.7 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.14 111.232 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.54 -43.82 36.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.719 . . . . 44.34 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.01 -158.23 27.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.21 112.503 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.86 -34.54 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 65.15 110.889 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.91 -46.97 64.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.4 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.7 -45.18 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 53.44 110.81 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.029 HD21 HD22 ' A' ' 25' ' ' LEU . 5.0 tt -51.51 -42.19 61.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 51.42 110.92 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -67.08 -42.28 84.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.42 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 70.55 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -56.11 -46.07 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 45.43 110.902 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.42 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 62.31 110.876 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.87 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 65.35 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.97 -30.1 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.29 51.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 72.2 112.515 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -129.96 23.93 5.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.849 0.357 . . . . 71.22 110.965 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 ' HD2' ' A' ' 29' ' ' LYS . 2.9 pp -83.4 -32.46 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.959 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.09 -49.72 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.786 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.95 -25.97 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.825 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.682 HD12 HD13 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -65.49 -45.23 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.982 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 -9.96 59.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 70.33 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -33.74 14.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 75.45 110.889 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.09 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 65.11 111.162 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.612 ' CA ' HD12 ' A' ' 62' ' ' ILE . . . 96.7 106.85 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 75.44 112.449 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.28 131.91 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 50.44 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -79.85 -33.65 40.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 61.34 110.886 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.477 0.875 0 O-C-N 118.694 -2.504 . . . . 74.35 109.385 -173.839 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 121.411 0.451 . . . . 60.25 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 126.66 13.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 73.3 112.365 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.72 155.2 16.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 70.41 112.483 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 62.3 m -113.59 74.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 73.4 110.874 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 17.4 ptm -173.13 149.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 71.42 110.868 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.56 -175.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 74.1 111.123 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.06 152.07 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 71.3 110.862 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.56 HG22 HG22 ' B' ' 62' ' ' ILE . 23.4 t -90.26 136.2 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.3 111.097 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.42 136.74 54.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.02 111.079 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.501 HG21 ' CE ' ' B' ' 23' ' ' LYS . 13.7 tt -124.27 135.67 62.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.32 111.157 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -92.84 101.16 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.62 148.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -52.66 159.91 1.57 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 74.15 110.858 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 79.81 0.91 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.748 2.299 . . . . 54.21 112.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 52.02 112.506 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m 158.23 -46.11 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 129.081 2.952 . . . . 63.0 115.515 172.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.21 -169.03 0.18 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 116.142 -2.105 . . . . 62.13 112.34 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 55' ' ' ASN . 16.5 m-85 -91.06 59.96 4.18 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 120.687 -1.258 . . . . 75.54 108.269 -175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.87 29.82 7.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.834 -1.075 . . . . 75.03 110.9 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.53 -26.12 28.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 53.24 111.187 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 65.2 mmt-85 -62.37 -58.84 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.847 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -47.57 73.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 54.23 111.037 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.501 ' CE ' HG21 ' B' ' 10' ' ' ILE . 18.3 mmtp -60.62 -44.75 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 61.12 110.866 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 -57.19 10.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 63.04 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 1.055 HD22 HD21 ' B' ' 73' ' ' LEU . 3.3 tt -57.24 -44.72 84.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 50.32 110.96 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 31' ' ' ALA . 7.4 mt -55.74 -28.44 55.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.917 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 -23.36 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.11 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.43 -25.12 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 65.23 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.628 ' HD2' HD13 ' B' ' 82' ' ' LEU . 6.4 ptmt -112.83 11.24 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.863 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.05 50.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.494 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.556 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -84.49 155.29 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.676 0.274 . . . . 73.11 111.124 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.87 122.11 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -125.26 153.72 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.897 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.66 119.04 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.877 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -83.3 154.97 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 64.3 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.578 HG21 HD11 ' B' ' 44' ' ' LEU . 61.3 mt -137.9 143.53 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 74.42 111.149 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.36 90.03 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 178.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 54.12 111.072 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t 63.16 16.99 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.868 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.56 -10.17 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.42 111.173 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.527 HG23 HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -164.71 154.34 11.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 62.52 111.111 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' B' ' 46' ' ' ALA . 53.9 Cg_endo -69.72 -7.95 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 74.41 112.368 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.24 -49.13 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.33 110.895 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.578 HD11 HG21 ' B' ' 36' ' ' ILE . 4.0 mm? -60.89 -57.32 13.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 73.13 110.896 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -25.81 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.854 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -69.6 -41.59 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 71.41 111.011 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.43 -35.92 71.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -79.0 -27.6 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 65.15 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.43 -26.92 68.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.99 -43.25 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.955 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -107.0 -60.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 75.44 110.896 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.68 51.07 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 70.41 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.39 -153.79 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 53.34 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -57.65 174.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.802 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -126.22 26.0 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.633 -1.292 . . . . 75.22 110.49 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.77 -45.62 35.28 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.047 -0.408 . . . . 61.1 111.164 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.8 157.44 71.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.71 0.767 . . . . 71.44 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.47 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.6 Cg_endo -69.84 174.64 9.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.709 2.273 . . . . 61.2 112.345 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.9 128.16 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.469 HD13 HG13 ' B' ' 10' ' ' ILE . 41.7 mm -101.55 144.96 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 60.44 111.12 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.17 124.33 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.674 HD13 HD12 ' B' ' 85' ' ' LEU . 1.0 OUTLIER -129.62 99.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 64.31 111.125 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.99 52.47 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 71.45 112.454 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m 59.27 21.29 9.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.953 0.406 . . . . 74.2 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.71 143.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 72.44 111.068 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.57 120.48 29.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 42.22 110.833 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.91 128.74 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.119 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.53 -43.8 36.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 44.34 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.02 -158.23 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 73.21 112.487 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.95 -34.47 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.15 110.891 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.92 -47.03 64.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 74.4 110.813 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -83.73 -45.06 13.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 53.44 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 1.055 HD21 HD22 ' B' ' 25' ' ' LEU . 5.0 tt -51.66 -42.02 61.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 51.42 110.891 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.24 -42.17 84.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.932 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.43 74.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 70.55 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 45.43 110.951 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.39 -36.75 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.865 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.82 -53.5 56.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.847 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.0 -30.01 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.912 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.24 51.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 72.2 112.462 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -130.02 23.95 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 71.22 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.628 HD13 ' HD2' ' B' ' 29' ' ' LYS . 2.8 pp -83.33 -32.41 26.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.969 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.11 -49.7 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.767 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.87 -26.0 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.674 HD12 HD13 ' B' ' 62' ' ' ILE . 0.8 OUTLIER -65.45 -45.35 84.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.86 -10.01 59.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 70.33 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -33.75 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.876 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.08 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.606 ' CA ' HD12 ' B' ' 62' ' ' ILE . . . 96.65 106.9 2.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.827 -0.701 . . . . 75.44 112.43 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.2 131.93 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 50.44 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.511 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.6 OUTLIER -79.85 -27.39 40.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 61.34 110.865 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.48 1.064 0 O-C-N 118.471 -2.643 . . . . 74.35 112.188 166.126 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 121.5 0.5 . . . . 52.25 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.41 42.18 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.628 2.219 . . . . 65.11 112.319 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.55 163.04 23.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 53.15 112.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -107.3 111.17 23.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.935 0.398 . . . . 54.35 110.839 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.1 ptm -161.87 170.27 19.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 60.42 110.863 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m -118.4 -174.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 71.54 111.101 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.97 137.49 51.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.854 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.53 147.62 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.127 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.95 150.12 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 65.42 111.098 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.01 135.84 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 65.24 111.224 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CE1' HD12 ' A' ' 36' ' ' ILE . 12.3 m-85 -93.27 108.2 19.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.901 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.78 166.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 74.11 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.21 159.51 84.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 74.32 110.91 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 79.1 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 75.01 112.385 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.52 109.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 63.45 112.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 156.01 -42.27 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.945 0 C-N-CA 128.878 2.871 . . . . 71.33 116.986 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.95 -175.23 0.74 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 115.872 -2.285 . . . . 74.44 112.309 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.15 56.67 3.84 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.848 -1.158 . . . . 64.32 110.874 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.86 -7.33 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.146 -0.971 . . . . 65.24 110.856 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.46 -30.05 18.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 51.03 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -61.25 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 71.24 110.947 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.23 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.157 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.52 -46.44 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.79 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 63.43 111.126 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.7 tp -51.99 -54.05 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 62.33 110.859 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.572 HD13 ' CG ' ' A' ' 33' ' ' PHE . 11.3 mt -55.23 -38.0 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.869 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.85 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 45.31 111.136 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -46.4 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.895 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HZ2' HD23 ' A' ' 86' ' ' LEU . 13.9 mtmt -81.96 0.28 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.89 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.74 15.95 49.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.1 112.475 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.84 168.9 7.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.77 0.319 . . . . 53.44 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.08 140.53 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.918 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CG ' HD13 ' A' ' 26' ' ' LEU . 14.1 p90 -143.87 157.69 44.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.68 129.37 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 35.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.7 153.38 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' CE1' ' A' ' 11' ' ' TYR . 68.9 mt -129.45 113.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 50.41 111.147 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.18 105.82 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.858 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.31 178.04 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.69 28.93 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.899 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.54 -39.33 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.3 111.013 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.76 147.45 62.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 74.31 111.131 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.98 37.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 72.0 112.374 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.08 -27.37 42.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 mt -82.06 -59.55 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 62.42 110.921 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.65 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.81 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.29 95.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 41.12 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.74 -50.99 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.869 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -68.98 -25.97 64.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 65.32 111.022 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.93 -26.0 64.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.966 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.07 -57.99 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.825 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -28.41 17.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.795 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p 51.94 37.91 22.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.61 174.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 73.23 112.417 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -53.68 174.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 74.43 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -113.47 17.19 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.572 -1.194 . . . . 52.51 111.273 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -84.91 -38.85 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.93 -0.481 . . . . 72.34 111.257 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.15 157.3 77.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.667 0.746 . . . . 74.33 110.799 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.25 4.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 72.2 112.381 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.79 132.68 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 65.42 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -102.93 144.24 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.63 127.88 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.841 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 90' ' ' LYS . 4.3 pt -130.66 108.25 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.142 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.31 -118.58 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 53.11 112.511 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.09 31.55 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 72.32 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.87 HG13 HD23 ' A' ' 91' ' ' LEU . 39.7 t -127.8 131.61 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.35 111.142 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -85.75 151.34 23.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.1 t -141.36 131.71 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.17 -56.29 15.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 64.23 112.495 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.68 -138.45 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 73.01 112.494 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 p -71.03 -40.29 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 51.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.88 -41.08 61.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.61 -44.19 10.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.833 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.73 -42.42 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.45 -34.34 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 51.32 110.972 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.3 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 50.53 111.129 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.91 92.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.907 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' OE1' HD22 ' A' ' 82' ' ' LEU . 30.4 mm-40 -60.38 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.874 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.14 -40.8 26.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.13 -30.11 70.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.903 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.29 41.53 1.9 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 13.11 112.51 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -129.98 30.2 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 73.21 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD22 ' OE1' ' A' ' 77' ' ' GLU . 3.9 pp -84.53 -40.42 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.04 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 82' ' ' LEU . 18.0 t70 -51.36 -35.35 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.9 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.87 -21.24 23.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.861 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.56 -44.17 35.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.903 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.502 HD23 ' HZ2' ' A' ' 29' ' ' LYS . 4.6 pp -80.77 -18.52 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 70.03 110.92 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.92 -27.22 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 63.21 110.877 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.3 p -146.11 -49.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.54 111.121 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 103.8 110.18 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 72.54 112.514 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.544 ' N ' HD12 ' A' ' 62' ' ' ILE . 19.6 ttmt -142.65 160.49 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 74.14 110.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.87 HD23 HG13 ' A' ' 65' ' ' VAL . 1.6 pp -100.72 -13.97 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.899 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.939 1.088 . . . . 64.31 113.939 -170.635 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 121.444 0.469 . . . . 52.25 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.32 42.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.688 2.259 . . . . 65.11 112.406 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.49 163.01 23.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 53.15 112.465 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -107.31 111.19 23.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.95 0.405 . . . . 54.35 110.887 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 14.1 ptm -161.85 170.18 19.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 60.42 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m -118.31 -174.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.116 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.96 137.35 51.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.48 147.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.3 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.98 150.21 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 65.42 111.073 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.09 135.74 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 65.24 111.182 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -93.2 108.08 19.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.67 166.57 3.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 74.11 111.112 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.2 159.61 83.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 74.32 110.852 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 79.1 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 75.01 112.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.61 108.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 63.45 112.441 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m 160.19 -49.49 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 C-N-CA 128.744 2.818 . . . . 71.33 114.458 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.49 -173.59 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 116.772 -1.685 . . . . 74.44 112.319 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.39 56.77 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.674 0.75 . . . . 64.32 111.52 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.5 p -107.36 -7.26 16.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 65.24 110.855 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.12 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 51.03 111.142 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -61.37 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -33.11 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.42 111.147 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.6 -46.41 82.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.891 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.48 -58.81 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 63.43 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.512 HD21 ' CD ' ' B' ' 77' ' ' GLU . 1.7 tp -52.03 -53.93 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.911 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.565 HD13 ' CG ' ' B' ' 33' ' ' PHE . 11.2 mt -55.27 -38.06 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.903 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.96 82.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 45.31 111.069 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -46.4 88.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.942 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HD2' HD13 ' B' ' 82' ' ' LEU . 13.8 mtmt -81.96 0.37 40.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.861 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.67 16.01 49.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 72.1 112.494 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 168.87 7.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.719 0.295 . . . . 53.44 111.06 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.14 140.68 40.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.846 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.565 ' CG ' HD13 ' B' ' 26' ' ' LEU . 14.0 p90 -143.9 157.77 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.858 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.74 129.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 35.34 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.79 153.37 21.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.786 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -129.39 113.72 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 50.41 111.177 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.1 105.83 1.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.44 178.01 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 71.11 111.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.77 28.84 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.853 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 -39.24 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 53.3 111.088 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.78 147.42 62.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 74.31 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.89 36.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 72.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.18 -27.34 42.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -82.11 -59.56 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 62.42 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -30.63 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.24 95.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.507 . . . . 41.12 111.126 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -61.9 -50.86 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 72.21 110.875 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -69.05 -25.93 64.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.961 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -68.95 -25.98 64.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.32 110.933 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.16 -57.95 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.1 110.781 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -28.44 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p 51.98 37.76 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.838 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.53 174.53 0.38 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 73.23 112.46 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -53.6 171.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 74.43 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -109.97 16.43 21.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.37 0.605 . . . . 52.51 112.164 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.8 p -78.56 -38.92 39.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.721 -0.612 . . . . 72.34 111.163 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.09 157.25 77.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.601 0.715 . . . . 74.33 110.84 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.2 4.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.626 2.217 . . . . 72.2 112.343 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.77 132.7 48.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 65.42 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mm -102.98 144.35 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.34 111.147 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.62 127.9 33.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.853 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.553 HD12 ' N ' ' B' ' 90' ' ' LYS . 4.3 pt -130.7 108.2 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.118 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 -118.48 8.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 53.11 112.553 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.15 31.53 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.32 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.897 HG13 HD23 ' B' ' 91' ' ' LEU . 39.8 t -127.82 131.68 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 63.35 111.131 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -85.71 151.25 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 74.14 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 t -141.32 131.82 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.15 -56.27 15.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.23 112.611 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.67 -138.44 4.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 73.01 112.533 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.7 p -71.19 -40.19 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 51.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.9 -41.09 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -44.3 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.821 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.858 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.5 -34.32 60.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 51.32 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 50.53 111.029 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.77 93.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 73.41 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.512 ' CD ' HD21 ' B' ' 25' ' ' LEU . 30.4 mm-40 -60.43 -31.14 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.85 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.11 -40.77 26.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.24 -30.02 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.85 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.51 1.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 13.11 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -130.05 30.24 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 73.21 110.939 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.512 HD22 ' OE1' ' B' ' 77' ' ' GLU . 3.9 pp -84.5 -40.41 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 62.04 110.974 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.493 ' N ' HD12 ' B' ' 82' ' ' LEU . 18.0 t70 -51.34 -35.43 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.904 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.73 -21.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.2 110.848 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.65 -44.07 35.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.472 HD23 ' HZ2' ' B' ' 29' ' ' LYS . 4.6 pp -80.79 -18.52 47.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 70.03 110.917 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.87 -27.38 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 63.21 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 39.0 p -146.04 -49.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.54 111.118 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.528 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 103.82 110.27 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.827 -0.701 . . . . 72.54 112.483 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LYS . . . . . 0.553 ' N ' HD12 ' B' ' 62' ' ' ILE . 19.6 ttmt -142.71 160.47 40.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.761 0.315 . . . . 74.14 110.954 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.897 HD23 HG13 ' B' ' 65' ' ' VAL . 1.6 pp -100.73 -19.28 16.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 70.22 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.244 0.776 0 CA-C-O 117.126 -1.416 . . . . 64.31 110.368 -172.618 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.45 0.472 . . . . 53.01 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.35 27.82 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.599 2.199 . . . . 74.42 112.398 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.44 126.66 43.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 64.42 112.539 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.6 m -90.3 -177.69 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 73.33 110.852 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptm -152.33 174.01 14.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.895 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 88' ' ' THR . 2.4 t -97.21 163.49 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.408 . . . . 73.54 111.097 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' H ' HG12 ' A' ' 6' ' ' VAL . 2.1 t70 -147.93 147.89 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 62' ' ' ILE . 22.5 t -99.01 147.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 54.21 111.13 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' ILE . 3.5 mp -133.33 152.22 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.128 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.558 HD13 ' HE3' ' A' ' 23' ' ' LYS . 17.9 tt -132.92 135.97 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.35 111.108 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 36' ' ' ILE . 9.6 m-85 -94.36 104.86 16.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.71 154.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 62.04 111.122 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 160.43 16.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 75.43 110.842 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.93 -12.6 32.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 74.03 112.268 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 171.8 106.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 62.44 112.499 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.956 ' HA ' HH21 ' B' ' 13' ' ' ARG . 1.5 m 168.26 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.314 -0.975 0 N-CA-C 117.873 2.546 . . . . 74.1 117.873 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.5 -173.39 0.97 Allowed 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 121.172 1.248 . . . . 74.1 112.315 173.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.94 61.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 120.706 -1.246 . . . . 72.32 112.03 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.33 34.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.331 -0.856 . . . . 73.44 110.932 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.99 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 74.45 111.157 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 14.6 mmt180 -64.95 -63.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.02 -40.13 60.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 74.43 111.17 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.558 ' HE3' HD13 ' A' ' 10' ' ' ILE . 14.2 mmtp -71.72 -29.72 64.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -52.71 -56.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 65.2 111.072 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD22 HD11 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -57.12 -53.54 56.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.911 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 31' ' ' ALA . 4.9 mt -56.97 -25.32 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.15 110.935 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.84 -23.46 41.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 43.02 111.093 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -76.3 -33.98 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.842 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.67 ' HE2' HD13 ' A' ' 82' ' ' LEU . 3.7 ptpp? -112.43 12.21 20.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.15 110.842 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.646 -0.788 . . . . 45.45 112.537 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -54.75 166.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 61.31 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.05 118.57 37.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -130.64 159.05 38.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.29 125.19 25.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 155.46 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 9' ' ' ILE . 74.2 mt -132.33 121.4 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 42.14 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.8 103.56 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 74.52 110.795 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.75 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.25 27.4 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.03 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.71 -34.01 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.022 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.84 147.69 65.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 71.34 111.138 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.65 -15.96 37.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 62.5 112.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.01 -26.2 39.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 64.45 110.827 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -89.77 -52.61 4.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.251 -0.431 . . . . 61.24 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 12.7 ptm180 -56.28 -28.63 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 72.45 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HA ' ' NE2' ' A' ' 49' ' ' GLN . . . -79.86 -21.48 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.11 111.157 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.32 -35.05 68.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.874 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.28 -19.94 32.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.05 110.817 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.38 -24.1 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 52.32 110.89 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -83.04 -43.46 16.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -89.79 10.01 25.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 63.24 110.794 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.82 129.39 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.906 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.14 -102.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 75.12 112.546 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.834 ' NH1' HH11 ' B' ' 54' ' ' ARG . 10.3 mmt180 -83.1 -31.95 27.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.337 . . . . 74.23 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.52 35.81 20.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.609 1.164 . . . . 54.43 110.395 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 p -78.3 -44.55 25.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.452 0.701 . . . . 75.32 111.079 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -127.0 157.47 71.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 72.33 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.87 -179.73 3.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.642 2.228 . . . . 71.2 112.31 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.31 152.06 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.25 110.939 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -116.77 144.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.42 111.198 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -132.22 105.97 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 75.4 110.916 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.789 HD13 HD12 ' A' ' 85' ' ' LEU . 4.8 pt -115.17 125.98 72.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 70.24 111.182 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.39 39.63 59.76 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 73.23 112.605 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 m 63.74 25.18 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 72.15 110.794 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.2 t -106.27 148.41 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -84.99 129.39 34.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.886 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 69' ' ' GLY . 60.1 t -128.82 132.78 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 72.21 111.153 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.91 -29.82 14.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 63.15 112.54 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.703 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 129.58 -157.64 21.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.454 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.78 -35.82 45.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 62.45 110.896 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.08 -50.61 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 61.52 110.874 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.56 -44.44 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.932 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 25' ' ' LEU . 1.7 tt -51.43 -42.36 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 71.41 110.895 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.17 -41.78 89.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.87 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.83 -40.1 72.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.55 111.047 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.3 mt -61.45 -39.63 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.935 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' OE1' HD22 ' A' ' 82' ' ' LEU . 8.8 tp10 -59.5 -32.84 70.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -55.73 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.912 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.1 -29.84 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.01 111.006 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.82 48.44 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 74.1 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -127.84 25.34 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 64.34 110.907 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.67 HD13 ' HE2' ' A' ' 29' ' ' LYS . 4.0 pp -79.49 -36.38 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.948 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.441 ' N ' HD12 ' A' ' 82' ' ' LEU . 14.5 t70 -56.46 -51.72 67.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 62.12 110.887 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.81 -25.48 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 63.33 110.832 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -69.88 -51.04 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 74.03 110.954 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -78.9 -9.75 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.55 110.988 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -25.46 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 61.44 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.674 ' HA ' HG21 ' A' ' 6' ' ' VAL . 30.9 p -147.07 -46.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 45.13 111.095 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.62 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 83.16 104.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 52.13 112.538 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.52 172.52 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.816 0.341 . . . . 70.13 110.919 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 -24.82 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.23 110.883 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.9 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.806 -1.568 . . . . 63.11 111.587 -166.815 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 121.412 0.451 . . . . 53.01 112.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.44 27.52 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.637 2.224 . . . . 74.42 112.372 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 126.6 42.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.776 -0.726 . . . . 64.42 112.489 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -90.2 -177.73 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 73.33 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptm -152.34 173.99 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.878 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.668 HG21 ' HA ' ' B' ' 88' ' ' THR . 2.4 t -97.13 163.52 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 73.54 111.132 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.404 ' H ' HG12 ' B' ' 6' ' ' VAL . 2.2 t70 -147.96 147.88 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 62.34 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.677 HG22 HG22 ' B' ' 62' ' ' ILE . 22.4 t -99.03 147.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 54.21 111.107 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.615 HG21 HD11 ' B' ' 36' ' ' ILE . 3.5 mp -133.35 152.24 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.52 111.118 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.566 HD13 ' HE3' ' B' ' 23' ' ' LYS . 17.9 tt -132.94 135.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 71.35 111.117 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' B' ' 36' ' ' ILE . 9.6 m-85 -94.33 104.77 16.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.84 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.65 154.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 62.04 111.121 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.956 HH21 ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -60.13 160.45 16.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.43 110.823 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -12.71 33.31 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.711 2.274 . . . . 74.03 112.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 171.81 110.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 62.44 112.455 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.304 14.7 t 135.42 -0.83 0.0 OUTLIER Pre-proline 0 CA--C 1.573 1.843 1 C-N-CA 132.76 4.424 . . . . 74.1 121.177 153.902 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.98 -173.24 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 114.632 -3.112 . . . . 74.1 112.34 148.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.2 65.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.762 0.792 . . . . 72.32 111.723 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 p -93.98 34.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.291 -0.881 . . . . 73.44 110.834 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.02 -27.02 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.108 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -64.87 -63.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.54 110.913 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.04 -40.13 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.566 ' HE3' HD13 ' B' ' 10' ' ' ILE . 14.3 mmtp -71.77 -29.71 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.895 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.45 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 65.2 111.154 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.612 HD22 HD21 ' B' ' 73' ' ' LEU . 0.7 OUTLIER -57.17 -53.52 57.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.932 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' B' ' 31' ' ' ALA . 4.8 mt -56.97 -25.24 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.009 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 -23.47 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 43.02 111.138 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -76.31 -33.88 59.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.69 ' HE2' HD13 ' B' ' 82' ' ' LEU . 3.7 ptpp? -112.44 12.16 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 72.15 110.858 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.82 28.01 22.31 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.717 -0.754 . . . . 45.45 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.643 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -54.76 165.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 61.31 111.086 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.02 118.48 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.893 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -130.6 159.05 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.31 125.14 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.918 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.43 155.45 31.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.615 HD11 HG21 ' B' ' 9' ' ' ILE . 73.8 mt -132.31 121.36 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 42.14 111.095 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.77 103.58 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.844 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.92 179.81 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.125 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.2 27.35 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 53.03 110.819 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.64 -34.02 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 72.33 111.049 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.74 147.7 65.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 71.34 111.129 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.402 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 54.8 Cg_endo -69.65 -15.95 37.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.717 2.278 . . . . 62.5 112.4 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.04 -26.21 39.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.78 -52.6 4.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 61.24 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 12.7 ptm180 -56.11 -28.73 58.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.945 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.82 -21.58 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.167 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.17 -35.2 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.16 -19.89 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.05 110.966 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.37 -24.12 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -83.01 -43.6 16.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.848 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -89.64 10.05 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 63.24 110.926 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.84 129.38 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 61.24 110.877 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.17 -102.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.485 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.834 HH11 ' NH1' ' A' ' 54' ' ' ARG . 10.3 mmt180 -83.01 -30.58 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 74.23 110.91 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m120 62.09 29.53 17.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.088 1.355 . . . . 54.43 112.038 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -75.1 -44.42 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.393 . . . . 75.32 111.158 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -127.07 157.37 72.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 72.33 110.931 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.423 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.3 Cg_endo -69.72 -179.76 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.702 2.268 . . . . 71.2 112.363 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.32 152.03 22.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 mm -116.85 144.43 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.046 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -132.26 105.99 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.4 110.927 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.796 HD13 HD12 ' B' ' 85' ' ' LEU . 4.8 pt -115.17 125.97 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 70.24 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.36 39.74 59.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 73.23 112.508 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m 63.65 25.17 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 72.15 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 36.6 t -106.24 148.45 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 70.01 111.174 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -85.05 129.39 34.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 73.12 110.788 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.698 HG12 ' H ' ' B' ' 69' ' ' GLY . 61.5 t -128.86 132.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 72.21 111.117 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.85 14.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 63.15 112.436 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.698 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 129.62 -157.67 21.89 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.773 -0.727 . . . . 74.33 112.421 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.77 -35.86 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 62.45 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.05 -50.54 61.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 61.52 110.84 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.64 -44.49 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.873 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.612 HD21 HD22 ' B' ' 25' ' ' LEU . 1.7 tt -51.36 -42.45 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.882 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.13 -41.74 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.89 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.55 111.087 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.4 HD12 HD13 ' B' ' 85' ' ' LEU . 61.3 mt -61.59 -39.49 91.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.955 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.53 -32.84 70.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.82 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -55.7 5.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.16 -29.76 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.922 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.71 48.52 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 74.1 112.465 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -127.85 25.36 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 64.34 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' B' ' 29' ' ' LYS . 4.0 pp -79.52 -36.49 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.841 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.451 ' N ' HD12 ' B' ' 82' ' ' LEU . 14.5 t70 -56.42 -51.76 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.12 110.867 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.69 -25.57 65.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 63.33 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.796 HD12 HD13 ' B' ' 62' ' ' ILE . 0.4 OUTLIER -69.94 -51.05 36.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 74.03 110.875 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.447 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -78.85 -9.89 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 55.55 110.97 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.64 -25.37 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 61.44 110.846 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.668 ' HA ' HG21 ' B' ' 6' ' ' VAL . 31.1 p -147.08 -46.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 45.13 111.111 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.617 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 83.2 104.65 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 52.13 112.484 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.6 172.49 10.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.803 0.335 . . . . 70.13 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -20.61 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 70.23 110.876 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 119.711 -1.868 . . . . 63.11 111.306 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 121.416 0.453 . . . . 73.31 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -39.37 6.66 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.705 2.27 . . . . 71.45 112.432 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.37 168.4 50.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 73.51 112.53 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.0 m -143.48 142.67 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 62.33 110.862 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.9 ptm -175.86 164.62 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 53.3 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.754 HG21 ' O ' ' A' ' 88' ' ' THR . 35.3 m -72.7 -176.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 70.14 111.09 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -162.19 146.21 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.852 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 62' ' ' ILE . 21.5 t -80.21 140.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.3 111.162 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.582 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.1 mp -133.6 138.23 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.44 111.115 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.593 HD13 ' HE3' ' A' ' 23' ' ' LYS . 16.3 tt -114.39 143.85 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.065 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD1' HD12 ' A' ' 36' ' ' ILE . 6.9 m-85 -93.18 99.86 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -171.56 146.88 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.196 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 158.92 3.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 74.53 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 83.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 71.35 112.385 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 31.44 112.474 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 161.87 -46.69 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 126.39 1.876 . . . . 73.42 115.241 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.84 -173.35 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 CA-C-N 119.159 0.735 . . . . 74.14 112.393 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -64.81 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 116.397 -1.764 . . . . 71.42 110.312 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 p 32.67 47.84 0.11 Allowed 'General case' 0 C--N 1.343 0.294 0 C-N-CA 126.175 1.79 . . . . 75.01 110.907 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.34 -41.84 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 62.23 111.182 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -56.65 -44.97 81.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 65.14 110.811 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -62.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 43.42 111.139 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.593 ' HE3' HD13 ' A' ' 10' ' ' ILE . 20.4 mmtp -53.22 -30.77 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.929 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB3' ' HH ' ' A' ' 74' ' ' TYR . . . -53.1 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.088 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD22 ' CD2' ' A' ' 73' ' ' LEU . 12.8 tp -51.83 -52.96 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD13 ' CG ' ' A' ' 33' ' ' PHE . 7.1 mt -56.05 -25.54 45.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.953 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.03 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.074 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -76.51 -31.12 57.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.839 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -117.45 13.97 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.88 28.01 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 71.34 112.487 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -64.29 169.89 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 72.3 111.1 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.76 152.18 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CG ' HD13 ' A' ' 26' ' ' LEU . 28.1 p90 -166.73 153.24 8.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.882 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.05 124.42 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.894 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -77.66 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.24 110.924 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.582 HD11 ' CG2' ' A' ' 9' ' ' ILE . 60.6 mt -117.75 118.48 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.03 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -69.02 107.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 62.34 110.884 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.4 178.82 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.092 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m 59.38 26.33 15.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 71.44 111.069 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.617 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -127.45 147.61 63.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 64.13 111.14 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.5 Cg_endo -69.76 -15.11 36.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 54.1 112.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -74.51 -58.16 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 52.22 110.759 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.617 HD12 ' CG2' ' A' ' 41' ' ' THR . 39.4 mt -56.68 -57.69 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.42 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 23.9 ptt180 -51.9 -32.02 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.857 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.33 73.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 50.15 111.093 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.2 -50.2 74.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 44.51 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtp -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.903 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.24 -27.51 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 75.45 110.892 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.02 -53.3 54.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.847 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.64 -32.96 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 74.21 110.808 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 56.99 39.74 29.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 63.04 110.898 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.04 -173.66 2.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 64.23 112.499 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -53.67 167.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 65.52 110.846 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -125.1 39.52 3.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.43 0.692 . . . . 65.23 111.347 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -109.03 -26.16 10.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.476 -0.765 . . . . 64.12 111.137 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.1 157.26 69.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 73.31 110.836 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.3 Cg_endo -69.8 -176.8 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.2 112.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -113.34 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.9 150.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 63.11 111.05 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -140.37 139.32 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 73.42 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 8' ' ' VAL . 1.4 pt -141.12 109.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 64.01 111.138 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.62 -119.49 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 73.41 112.556 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.56 27.57 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 72.41 110.876 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.51 145.51 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 54.53 111.099 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -100.2 145.56 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.861 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.7 t -138.15 128.89 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.2 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.73 -85.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.479 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.03 -161.19 10.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 63.51 112.432 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 p -51.89 -32.22 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 62.12 110.878 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.45 -51.18 60.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.824 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.76 -43.79 35.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' CD2' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.88 -41.32 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.909 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.415 ' HH ' ' HB3' ' A' ' 24' ' ' ALA . 6.3 m-85 -74.89 -41.8 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 65.14 110.938 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.13 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 53.42 111.165 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.91 -38.74 91.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.706 ' HA ' HD23 ' A' ' 82' ' ' LEU . 5.6 tm-20 -60.22 -31.3 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.924 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.2 -52.93 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.784 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.61 -25.88 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 63.23 110.93 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.29 50.29 1.75 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 74.21 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -129.97 24.46 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 74.13 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 77' ' ' GLU . 3.8 pp -90.1 -36.65 14.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 73.22 110.895 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.29 -60.93 2.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 64.05 110.818 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -67.04 -16.26 64.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.874 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.508 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.9 tt -77.36 -47.6 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 86' ' ' LEU . 4.5 pp -77.33 -17.5 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 70.1 110.933 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -39.04 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 65.23 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.754 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.9 t -141.65 -41.63 0.36 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 64.25 111.126 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.527 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 98.17 101.46 2.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 25.42 112.464 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.09 176.51 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 74.24 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -30.16 10.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 70.33 110.973 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 116.134 -1.888 . . . . 74.42 112.942 -172.505 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.431 0.462 . . . . 73.31 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -39.31 6.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 71.45 112.395 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.44 168.44 50.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.77 . . . . 73.51 112.524 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -143.49 142.66 31.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 62.33 110.875 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 25.0 ptm -175.88 164.66 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 53.3 110.834 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.747 HG21 ' O ' ' B' ' 88' ' ' THR . 35.4 m -72.76 -176.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.114 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -162.2 146.19 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.863 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.554 HG22 HG22 ' B' ' 62' ' ' ILE . 21.5 t -80.15 140.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.3 111.1 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.581 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.1 mp -133.67 138.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 71.44 111.121 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.58 HD13 ' HE3' ' B' ' 23' ' ' LYS . 16.3 tt -114.42 143.84 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.34 111.101 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.508 ' CD1' HD12 ' B' ' 36' ' ' ILE . 6.9 m-85 -93.18 99.94 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.944 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 t -171.62 146.92 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 72.41 111.157 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 159.0 3.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 74.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 83.89 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 71.35 112.38 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 111.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 31.44 112.482 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.257 11.7 m 144.64 -26.44 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 C-N-CA 131.064 3.746 . . . . 73.42 120.255 168.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.23 -174.34 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 115.49 -2.54 . . . . 74.14 112.361 161.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -69.19 -74.12 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 114.704 -2.569 . . . . 71.42 110.633 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.1 p 33.14 47.96 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 120.383 1.447 . . . . 75.01 110.879 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.44 -41.78 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.23 111.17 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -56.71 -44.86 81.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 65.14 110.876 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -62.8 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 43.42 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.58 ' HE3' HD13 ' B' ' 10' ' ' ILE . 20.5 mmtp -53.09 -30.87 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.937 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.404 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -53.02 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.127 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' B' ' 73' ' ' LEU . 12.8 tp -51.9 -52.93 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.931 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' B' ' 33' ' ' PHE . 7.1 mt -56.05 -25.54 45.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.95 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.04 25.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.136 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.55 -31.06 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.856 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 0.9 OUTLIER -117.48 13.97 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.86 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 28.0 23.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 71.34 112.48 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.513 ' HB2' ' HG3' ' B' ' 29' ' ' LYS . . . -64.39 169.84 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 72.3 111.071 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.6 152.22 19.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 72.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.517 ' CG ' HD13 ' B' ' 26' ' ' LEU . 28.1 p90 -166.79 153.24 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.841 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.03 124.46 23.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -77.78 144.36 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.841 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.581 HD11 ' CG2' ' B' ' 9' ' ' ILE . 60.7 mt -117.86 118.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.488 . . . . 71.03 111.106 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.97 107.88 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 62.34 110.882 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.47 178.81 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 71.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m 59.34 26.38 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.894 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.95 -35.22 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.102 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.599 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -127.52 147.7 63.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 64.13 111.086 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 53.8 Cg_endo -69.83 -15.12 36.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 54.1 112.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -74.46 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 52.22 110.797 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.599 HD12 ' CG2' ' B' ' 41' ' ' THR . 39.6 mt -56.71 -57.65 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 62.42 110.911 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 24.0 ptt180 -52.0 -31.89 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.23 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 50.15 111.118 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.21 -50.21 74.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 44.51 110.852 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.0 mtp -71.28 -29.13 64.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.22 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.12 -27.65 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.924 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.04 -53.19 56.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.63 -33.02 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.81 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 57.01 39.79 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 63.04 110.872 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -173.7 2.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 64.23 112.438 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -53.67 167.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 65.52 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -126.81 45.22 2.73 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.278 0.631 . . . . 65.23 111.108 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -114.08 -26.01 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.783 0.325 . . . . 64.12 111.13 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.15 157.35 69.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.31 110.826 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.406 ' CG ' HD11 ' B' ' 10' ' ' ILE . 52.8 Cg_endo -69.93 -176.77 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.269 . . . . 73.2 112.313 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -113.44 140.69 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 71.43 110.925 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.83 150.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.43 139.29 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.554 HG22 HG22 ' B' ' 8' ' ' VAL . 1.4 pt -141.08 109.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.01 111.136 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.61 -119.48 12.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 73.41 112.417 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.58 27.61 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 72.41 110.856 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.55 145.48 25.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 54.53 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -100.13 145.51 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.903 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 37.6 t -138.18 128.87 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 64.1 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -85.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.33 112.516 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.97 -161.14 9.96 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 63.51 112.48 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -51.93 -32.2 31.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.914 0.388 . . . . 62.12 110.883 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.41 -51.27 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.44 110.805 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.67 -43.79 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.921 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.419 ' CD2' HD22 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -52.92 -41.33 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 63.15 110.874 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.404 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 6.3 m-85 -74.94 -41.74 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.67 -42.12 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 53.42 111.165 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.86 -38.79 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.683 ' HA ' HD23 ' B' ' 82' ' ' LEU . 5.5 tm-20 -60.23 -31.33 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.856 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.11 -52.86 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 64.13 110.88 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.62 -25.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.23 110.88 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.35 50.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 74.21 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -129.94 24.42 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 74.13 110.862 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' B' ' 77' ' ' GLU . 3.8 pp -90.01 -36.68 14.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.857 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.34 -60.84 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 64.05 110.813 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -67.12 -16.28 64.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 71.51 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.506 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.9 tt -77.41 -47.53 19.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.95 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.413 ' C ' HD12 ' B' ' 86' ' ' LEU . 4.5 pp -77.44 -17.46 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -38.97 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 65.23 110.883 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.747 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.9 t -141.65 -41.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 64.25 111.132 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.53 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 98.18 101.49 2.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 25.42 112.476 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.1 176.47 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 74.24 110.92 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 -28.26 11.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 115.707 -2.092 . . . . 74.42 111.418 -171.661 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.436 0.464 . . . . 53.04 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.69 -48.21 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 63.13 112.345 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.79 -141.86 3.82 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 51.32 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.88 178.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.5 110.816 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 46.6 mtp -140.16 -170.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 62.15 110.905 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.565 HG21 ' CA ' ' A' ' 88' ' ' THR . 28.2 m -68.31 -176.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 73.2 111.147 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -172.78 146.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 64.24 110.873 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 62' ' ' ILE . 22.8 t -85.06 145.52 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 73.23 111.062 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.65 145.18 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 53.42 111.081 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.693 HD11 ' CG ' ' A' ' 58' ' ' PRO . 14.4 tt -127.29 126.62 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 64.25 111.104 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -89.74 101.91 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.81 170.38 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 71.03 111.159 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 135.48 87.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.626 0.726 . . . . 74.3 110.849 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 77.46 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.738 2.292 . . . . 62.45 112.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.55 98.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 54.31 112.443 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 162.28 -49.47 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.299 0 C-N-CA 126.782 2.033 . . . . 64.0 115.579 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.23 -171.34 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 117.901 -0.933 . . . . 52.02 112.31 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -93.64 42.11 1.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 119.634 -1.916 . . . . 73.21 110.389 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.64 43.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.368 -0.832 . . . . 54.21 110.937 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.41 17.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -65.81 -46.14 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 70.4 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.65 73.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 43.43 111.109 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HA ' HD12 ' A' ' 26' ' ' LEU . 19.0 mmtp -64.5 -43.61 93.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.821 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 24.24 111.123 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.728 HD22 HD21 ' A' ' 73' ' ' LEU . 2.2 tt -57.56 -47.24 82.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 74.05 110.897 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.676 HD13 ' CD1' ' A' ' 33' ' ' PHE . 7.0 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.813 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.81 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -72.42 -54.99 7.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.888 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -87.9 7.88 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.9 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.29 35.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 41.22 112.442 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.588 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -76.37 169.89 17.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 43.33 111.119 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.8 160.07 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 61.14 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.676 ' CD1' HD13 ' A' ' 26' ' ' LEU . 14.3 p90 -165.98 148.28 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 54.15 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.27 126.63 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.922 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.658 ' O ' HD13 ' A' ' 36' ' ' ILE . 18.1 mt-10 -81.24 158.04 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.4 110.827 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 35' ' ' GLU . 25.5 mm -127.93 123.64 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 54.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -73.63 104.37 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.848 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.95 -179.89 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 71.51 111.063 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.55 21.21 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.11 110.819 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.48 -33.28 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 55.24 111.136 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -126.58 148.42 64.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.602 0.715 . . . . 72.35 111.097 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -11.69 31.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 74.14 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.97 -49.25 12.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.577 HD21 HG22 ' A' ' 36' ' ' ILE . 8.6 mp -63.49 -56.49 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.866 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.9 -27.6 31.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 63.23 110.961 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.76 -44.38 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 65.43 111.061 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.42 -53.89 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -56.93 -24.24 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.864 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.43 -21.65 60.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.911 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.78 -43.02 80.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.812 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.04 10.53 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.05 110.822 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.59 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 70.31 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.96 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.806 -0.712 . . . . 42.21 112.469 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -97.81 121.51 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 73.41 110.824 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 73.79 7.94 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.541 -1.349 . . . . 73.43 109.0 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -113.72 -24.64 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.66 -1.154 . . . . 71.11 111.099 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.75 158.38 34.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.742 . . . . 74.24 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.693 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.69 -178.36 2.28 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.735 2.29 . . . . 70.42 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.13 125.24 52.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.86 150.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 63.21 111.069 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.19 126.04 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.01 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 8' ' ' VAL . 1.2 pt -134.81 123.1 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.23 111.107 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.37 -117.47 6.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 64.12 112.484 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.62 25.84 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 74.35 110.83 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.95 142.73 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 72.54 111.087 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.96 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.866 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -133.89 88.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.216 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.72 74.87 1.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.777 . . . . 50.01 112.479 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.6 110.99 0.41 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.757 -0.735 . . . . 60.03 112.525 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -51.85 -32.52 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.5 110.84 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.92 -35.83 77.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.03 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -67.01 -32.6 73.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.01 110.917 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -67.86 -30.4 69.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 54.05 110.921 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.11 -28.56 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 73.01 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -50.66 70.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 72.01 111.058 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.09 -42.67 98.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HG2' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.81 -31.45 72.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 65.42 110.861 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.05 -35.95 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.54 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.18 -30.22 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.792 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.5 42.22 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.833 -0.699 . . . . 73.25 112.422 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -129.42 29.36 5.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.874 0.368 . . . . 73.34 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' A' ' 77' ' ' GLU . 3.1 pp -83.03 -36.99 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.97 -65.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.84 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -58.24 -22.21 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 65.32 110.895 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.489 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.3 tt -73.34 -45.94 52.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.479 . . . . 71.5 110.936 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.541 HD23 ' HE2' ' A' ' 29' ' ' LYS . 4.6 pp -85.79 -9.87 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HE2' HG22 ' A' ' 88' ' ' THR . 0.0 OUTLIER -96.56 -31.64 12.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 74.21 110.925 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.565 ' CA ' HG21 ' A' ' 6' ' ' VAL . 25.3 p -137.56 -47.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.148 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.554 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 101.33 73.54 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.677 -0.773 . . . . 52.42 112.488 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -125.06 150.24 47.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 74.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -91.54 -23.71 19.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 54.35 110.956 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--O 1.245 0.827 0 O-C-N 121.528 -0.733 . . . . 52.31 110.953 -163.883 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.467 0.482 . . . . 53.04 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.14 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.601 2.201 . . . . 63.13 112.405 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.72 -141.87 3.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 51.32 112.483 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.9 178.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 74.5 110.798 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 46.7 mtp -140.16 -170.56 2.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.15 110.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' B' ' 88' ' ' THR . 28.1 m -68.34 -176.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.2 111.192 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -172.76 146.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.818 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.883 HG22 HG22 ' B' ' 62' ' ' ILE . 22.8 t -84.98 145.57 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.23 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.69 145.04 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 53.42 111.144 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.681 HD11 ' CG ' ' B' ' 58' ' ' PRO . 14.4 tt -127.22 126.64 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.25 111.092 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.8 102.01 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.917 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.88 170.33 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 71.03 111.146 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.405 ' HB3' ' HD3' ' B' ' 17' ' ' PRO . 0.0 OUTLIER -69.91 135.41 87.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 74.3 110.843 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 77.54 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.774 2.316 . . . . 62.45 112.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 99.4 1.15 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 54.31 112.548 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 157.17 -42.04 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 C-N-CA 129.046 2.938 . . . . 64.0 117.643 171.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HB3' ' B' ' 13' ' ' ARG . 52.2 Cg_endo -69.13 -170.27 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 115.904 -2.264 . . . . 52.02 112.277 170.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.66 41.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 119.981 -1.699 . . . . 73.21 109.626 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.08 43.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.047 -1.033 . . . . 54.21 110.88 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.13 -31.39 17.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.07 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.85 -46.12 79.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 70.4 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.75 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 43.43 111.118 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' B' ' 26' ' ' LEU . 19.0 mmtp -64.44 -43.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.876 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.18 61.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 24.24 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.725 HD22 HD21 ' B' ' 73' ' ' LEU . 2.2 tt -57.57 -47.2 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.883 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' B' ' 33' ' ' PHE . 6.9 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.875 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 -24.66 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.054 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.49 -54.99 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.891 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.585 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -87.82 7.88 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.906 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.66 34.4 35.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.77 -0.729 . . . . 41.22 112.461 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.61 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -76.43 169.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 43.33 111.099 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.74 160.07 14.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 61.14 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.682 ' CD1' HD13 ' B' ' 26' ' ' LEU . 14.2 p90 -166.02 148.29 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 54.15 110.909 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.28 126.52 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.946 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.661 ' O ' HD13 ' B' ' 36' ' ' ILE . 18.0 mt-10 -81.17 157.97 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.88 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' O ' ' B' ' 35' ' ' GLU . 25.4 mm -127.9 123.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 54.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.61 104.38 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.878 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.89 -179.9 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.154 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.57 21.22 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.812 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.52 -33.14 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 55.24 111.172 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.511 ' CG2' HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -126.64 148.39 64.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 72.35 111.145 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -11.64 31.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 74.14 112.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.02 -49.19 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 63.41 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.579 HD21 HG22 ' B' ' 36' ' ' ILE . 8.6 mp -63.52 -56.41 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.906 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.87 -27.76 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.879 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.65 -44.45 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 65.43 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -70.34 -53.99 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.83 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -57.0 -24.17 51.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.4 -21.71 60.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.945 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.71 -42.97 81.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.857 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.16 10.6 23.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.05 110.871 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.55 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.857 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.63 -102.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 42.21 112.451 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mmt-85 -97.84 125.51 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 73.41 110.893 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.13 61.12 6.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.595 -0.729 . . . . 73.43 112.242 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.1 p -112.44 -24.68 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.917 -0.489 . . . . 71.11 111.11 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.76 158.37 34.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 74.24 110.833 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.681 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.0 Cg_endo -69.75 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 70.42 112.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.08 125.26 52.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.912 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.88 150.89 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 63.21 111.084 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -146.14 126.02 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 50.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.883 HG22 HG22 ' B' ' 8' ' ' VAL . 1.2 pt -134.7 123.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 73.23 111.147 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.38 -117.5 6.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 64.12 112.488 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.64 25.9 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 74.35 110.86 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.01 142.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 72.54 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.98 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 75.52 110.846 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -133.88 88.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.5 111.184 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.79 74.83 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 50.01 112.468 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.64 110.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 60.03 112.469 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.3 t -51.8 -32.52 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.5 110.905 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.96 -35.84 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 73.03 110.806 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.01 -32.63 73.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 71.01 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.725 HD21 HD22 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -67.88 -30.37 69.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 54.05 110.886 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.11 -28.57 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.853 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.61 70.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.01 111.136 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.14 -42.62 98.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.85 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.718 ' HG2' HD11 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -62.85 -31.43 72.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.881 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -36.01 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.54 110.855 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -76.23 -30.01 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.34 42.13 1.54 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 73.25 112.543 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -129.38 29.41 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 73.34 110.94 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.12 -36.88 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -58.03 -65.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 70.24 110.856 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 47.8 m -58.33 -22.15 52.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 65.32 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.495 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.2 tt -73.4 -45.99 51.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 71.5 110.88 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.548 HD23 ' HE2' ' B' ' 29' ' ' LYS . 4.6 pp -85.73 -9.89 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 62.11 110.864 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' B' ' 88' ' ' THR . 0.0 OUTLIER -96.56 -31.59 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 74.21 110.916 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.561 ' HA ' HG21 ' B' ' 6' ' ' VAL . 25.1 p -137.53 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.174 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.563 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 101.4 73.58 1.03 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 52.42 112.427 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -125.06 150.19 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 74.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.547 ' H ' HD23 ' B' ' 91' ' ' LEU . 1.0 OUTLIER -91.48 -22.87 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 54.35 110.963 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.245 0.829 0 N-CA-C 109.438 -0.579 . . . . 52.31 109.438 -169.198 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 121.464 0.48 . . . . 71.32 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.33 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.708 2.272 . . . . 72.35 112.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.5 -178.02 18.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 52.1 112.423 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -110.02 -18.22 13.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 63.34 110.876 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 mtp -64.87 168.32 6.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 63.4 110.88 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.57 164.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 40.22 111.094 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.84 147.44 40.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 62' ' ' ILE . 19.4 t -94.89 133.52 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 65.53 111.182 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.83 149.26 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 54.23 111.129 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.656 HG13 HD13 ' A' ' 60' ' ' ILE . 12.6 tt -132.77 140.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.1 111.153 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 36' ' ' ILE . 7.1 m-85 -89.82 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.08 148.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.23 111.112 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -59.44 160.67 12.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 72.02 110.861 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 78.85 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 74.14 112.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 71.12 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m 162.32 -49.51 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.405 0 C-N-CA 127.218 2.207 . . . . 71.54 114.24 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.21 -170.72 0.44 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 119.606 0.895 . . . . 74.34 112.273 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.98 47.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.965 0.888 . . . . 64.14 109.311 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.66 34.67 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.394 -0.816 . . . . 61.11 110.877 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.15 -35.25 21.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.78 -48.89 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 65.51 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.8 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 71.14 111.164 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.55 -29.4 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.977 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.12 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 54.1 111.11 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.9 HD22 HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -71.41 -49.53 40.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.86 -39.55 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.55 110.936 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.38 53.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 63.23 111.149 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.41 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.809 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.667 ' HD2' HD13 ' A' ' 82' ' ' LEU . 22.6 mtmm -94.75 10.34 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.889 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.36 20.17 43.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 74.24 112.553 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 169.49 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 53.2 111.133 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -104.0 159.85 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 54.53 110.86 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -160.58 164.5 31.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 74.02 110.894 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -137.91 130.8 29.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 53.22 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -94.59 136.58 34.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 65.32 110.887 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' A' ' 11' ' ' TYR . 59.8 mt -104.15 132.72 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 74.13 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.05 91.51 1.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.78 179.86 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 16.79 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 71.03 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 -5.51 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.414 HG23 HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -172.3 152.79 2.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.572 0.701 . . . . 62.43 111.046 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -7.97 22.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.687 2.258 . . . . 74.51 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -50.81 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 51.03 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 44' ' ' LEU . 1.8 mm? -83.95 -40.5 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 53.42 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.35 -28.58 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.908 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.63 48.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 51.44 111.046 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.63 -35.39 45.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 74.43 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.1 mtp -90.79 -24.49 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 72.24 110.813 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.93 -19.86 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 74.51 110.915 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.33 -49.1 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.08 -60.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -67.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.789 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.12 3.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 40.01 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -73.63 -23.34 59.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 73.21 110.92 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 60.48 27.63 17.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.123 1.514 . . . . 51.13 110.677 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.695 HG23 ' CD2' ' A' ' 57' ' ' PHE . 2.8 t -58.55 -30.31 67.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.659 -1.155 . . . . 65.2 111.117 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.695 ' CD2' HG23 ' A' ' 56' ' ' THR . 1.5 p90 -141.34 157.58 65.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 73.43 110.875 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 161.82 44.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 71.12 112.42 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.62 118.0 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.978 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.656 HD13 HG13 ' A' ' 10' ' ' ILE . 25.0 mm -90.02 128.2 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 74.11 111.109 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.65 143.8 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 73.55 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 8' ' ' VAL . 10.5 mt -145.33 111.91 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.22 111.151 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.53 -102.97 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 71.2 112.471 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.7 p -117.85 35.02 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 73.54 110.824 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.47 145.08 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 73.21 111.165 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -120.94 101.68 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.823 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -140.43 89.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 64.24 111.088 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.52 79.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.816 -0.707 . . . . 64.22 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.38 110.55 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.41 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.2 m -54.44 -30.41 52.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 75.52 110.832 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.11 -28.43 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 70.24 110.867 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -69.57 -37.89 77.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.895 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.9 HD21 HD22 ' A' ' 25' ' ' LEU . 2.7 tt -66.44 -34.63 78.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.938 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.86 -30.07 61.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.858 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.38 79.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 61.43 111.153 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.83 -46.53 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.939 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.589 ' CD ' HD11 ' A' ' 25' ' ' LEU . 11.3 tt0 -53.39 -35.32 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.867 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -45.5 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 60.21 110.831 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.1 -29.8 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.916 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 36.51 4.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 72.23 112.543 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -122.97 29.97 6.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 72.23 110.901 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.667 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.9 pp -86.2 -37.19 18.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 51.21 110.81 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 82' ' ' LEU . 32.3 t0 -59.18 -63.25 1.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 53.41 110.841 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -20.33 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.88 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.3 tt -75.51 -52.11 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.891 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.6 pp -74.45 -16.6 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.987 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 -40.16 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 62.1 110.977 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 p -130.78 -46.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 65.41 111.154 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.68 103.95 2.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.42 112.452 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 71.24 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -25.38 18.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.931 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 C--O 1.251 1.138 0 O-C-N 122.235 -0.291 . . . . 65.2 111.557 -169.048 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 121.411 0.45 . . . . 71.32 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -48.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.736 2.291 . . . . 72.35 112.396 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.42 -177.99 18.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.761 -0.733 . . . . 52.1 112.404 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -110.1 -18.19 13.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 63.34 110.77 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 26.7 mtp -65.02 168.31 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 63.4 110.881 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.44 164.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 40.22 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.83 147.49 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.1 110.82 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.581 HG22 HG23 ' B' ' 62' ' ' ILE . 19.4 t -94.93 133.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 65.53 111.119 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.86 149.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 54.23 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.65 HG13 HD13 ' B' ' 60' ' ' ILE . 12.5 tt -132.71 140.93 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.116 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.528 ' CD1' HD12 ' B' ' 36' ' ' ILE . 7.1 m-85 -89.91 104.27 16.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.12 148.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 75.23 111.112 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -59.48 160.65 12.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 72.02 110.839 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.76 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.696 2.264 . . . . 74.14 112.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.32 112.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 71.12 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 42.1 t 156.64 -44.71 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 C-N-CA 128.863 2.865 . . . . 71.54 116.148 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.67 -170.4 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 115.818 -2.321 . . . . 74.34 112.367 171.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -94.03 44.93 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 120.756 -1.215 . . . . 64.14 109.937 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.47 34.73 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.68 -0.637 . . . . 61.11 110.938 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.2 -35.15 21.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.112 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.96 -48.82 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 65.51 110.817 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.76 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 71.14 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.49 -29.45 67.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.939 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.09 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.1 111.099 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.876 HD22 HD21 ' B' ' 73' ' ' LEU . 0.5 OUTLIER -71.4 -49.53 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.991 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.86 -39.52 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.97 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.32 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 63.23 111.123 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.839 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.639 ' HD2' HD13 ' B' ' 82' ' ' LEU . 22.7 mtmm -94.77 10.36 35.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.896 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.5 20.03 43.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.86 169.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 53.2 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -103.95 159.8 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 54.53 110.941 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -160.56 164.52 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.925 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -137.87 130.81 30.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 53.22 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -94.59 136.59 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' B' ' 11' ' ' TYR . 59.6 mt -104.22 132.73 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 74.13 111.106 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.96 91.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.74 179.76 6.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 74.12 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.16 16.67 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.54 -5.48 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.24 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.401 HG23 HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -172.3 152.81 2.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.513 0.673 . . . . 62.43 111.177 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.96 22.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 74.51 112.331 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -66.65 -50.71 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 51.03 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.435 ' H ' HD22 ' B' ' 44' ' ' LEU . 1.8 mm? -83.94 -40.57 18.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.28 -28.61 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.82 -9.68 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 51.44 111.079 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.7 -35.34 45.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.2 mtp -90.86 -24.46 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.98 -19.79 64.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.904 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.29 -49.17 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.974 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.09 -60.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 62.31 110.911 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.46 -67.62 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.785 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.4 -59.2 3.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 40.01 112.481 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -73.56 -20.74 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 73.21 110.971 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 9.9 m120 58.71 29.11 18.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.28 1.032 . . . . 51.13 110.493 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.691 HG23 ' CD2' ' B' ' 57' ' ' PHE . 2.8 t -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 65.2 111.076 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.691 ' CD2' HG23 ' B' ' 56' ' ' THR . 1.5 p90 -141.24 157.6 66.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 73.43 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 71.12 112.382 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.6 117.97 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.961 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.65 HD13 HG13 ' B' ' 10' ' ' ILE . 24.8 mm -89.92 128.13 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.175 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.59 143.78 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.55 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.581 HG23 HG22 ' B' ' 8' ' ' VAL . 10.3 mt -145.32 111.85 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 63.22 111.197 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.58 -103.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 71.2 112.465 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -117.86 35.02 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 73.54 110.861 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -115.49 145.03 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.21 111.138 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -120.92 101.61 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 64.01 110.815 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -140.37 89.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 64.24 111.136 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.64 79.5 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 64.22 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.45 110.42 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 74.43 112.477 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 64.1 m -54.42 -30.31 52.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 75.52 110.927 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -76.2 -28.41 57.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 70.24 110.856 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.826 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.876 HD21 HD22 ' B' ' 25' ' ' LEU . 2.7 tt -66.41 -34.7 78.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 73.2 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.45 79.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.074 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.86 -46.5 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.591 ' CD ' HD11 ' B' ' 25' ' ' LEU . 11.4 tt0 -53.41 -35.3 60.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.5 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -45.56 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 60.21 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.16 -29.63 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.931 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.61 36.57 4.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -123.07 30.01 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.23 110.863 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.639 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.9 pp -86.21 -37.2 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.21 110.887 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.451 ' N ' HD12 ' B' ' 82' ' ' LEU . 32.0 t0 -59.14 -63.29 1.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 53.41 110.832 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -20.34 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.41 110.948 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.498 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.3 tt -75.59 -51.97 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 72.44 110.884 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.498 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.6 pp -74.53 -16.6 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.91 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -40.08 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.952 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -130.84 -47.02 1.03 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 65.41 111.077 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.75 103.92 2.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.76 . . . . 64.42 112.403 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 71.24 110.829 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.57 -23.62 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.96 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--O 1.248 0.975 0 N-CA-C 107.782 -1.192 . . . . 65.2 107.782 -176.629 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 121.415 0.453 . . . . 73.42 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 147.45 63.09 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.665 2.243 . . . . 70.21 112.348 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.4 92.35 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.663 -0.78 . . . . 62.33 112.456 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -18.97 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 72.2 110.857 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.4 167.74 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.939 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -93.82 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 65.11 111.106 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.86 131.33 54.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 71.34 110.865 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 62' ' ' ILE . 21.2 t -98.11 146.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 73.12 111.125 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 36' ' ' ILE . 3.1 mp -139.99 154.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 62.13 111.131 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.799 HG21 ' HE3' ' A' ' 23' ' ' LYS . 18.6 tt -142.35 140.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 73.01 111.096 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -89.75 109.67 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.557 HG23 ' HB3' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -154.5 151.18 28.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 71.03 111.176 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 32.5 mtt85 -84.3 154.52 63.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 62.53 110.909 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.28 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.707 2.271 . . . . 43.33 112.409 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 16' ' ' CYS . . . 77.34 96.61 0.2 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 50.25 112.507 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.79 ' HB3' ' HD3' ' A' ' 17' ' ' PRO 0.359 37.6 t 177.32 -68.88 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.202 1 O-C-N 115.755 -4.379 . . . . 70.0 100.486 -157.557 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -86.62 -174.8 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.102 1 C-N-CA 133.963 9.775 . . . . 51.03 112.376 -172.271 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -112.01 57.37 0.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 122.395 1.093 . . . . 64.04 112.215 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 12' ' ' THR . 26.8 p -92.13 45.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 119.565 -1.96 . . . . 72.12 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -44.46 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 73.01 111.121 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 31.4 mmt180 -62.11 -41.61 98.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 54.42 110.84 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.799 ' HE3' HG21 ' A' ' 10' ' ' ILE . 36.6 mmtm -64.28 -22.59 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 53.11 110.94 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -51.8 -41.06 61.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.132 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.795 HD22 HD21 ' A' ' 73' ' ' LEU . 3.6 tt -88.42 -46.5 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.75 -42.67 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.956 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.54 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 64.1 111.12 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -24.09 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 70.45 110.811 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HD3' HD13 ' A' ' 82' ' ' LEU . 2.0 mmpt? -93.35 -10.34 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.888 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.31 6.95 88.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.789 -0.719 . . . . 71.34 112.455 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 154.03 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 73.43 111.075 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.99 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.862 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 71.34 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -149.84 124.38 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -77.42 159.99 29.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.817 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 9' ' ' ILE . 81.7 mt -137.21 104.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 65.33 111.095 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.49 103.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 53.24 110.849 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.2 178.36 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 61.11 111.103 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.04 26.63 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 64.24 110.917 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.65 -34.04 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 74.33 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.568 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -136.39 147.54 60.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.499 0.666 . . . . 73.23 111.243 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -16.95 37.58 Favored 'Trans proline' 0 C--N 1.34 0.108 0 C-N-CA 122.734 2.289 . . . . 63.24 112.248 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -37.37 70.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 64.44 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' CG2' ' A' ' 41' ' ' THR . 24.6 mt -89.75 -50.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.04 110.849 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -52.35 -29.84 25.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.02 88.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.143 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -73.37 -42.8 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.885 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.0 ttp -71.4 -26.03 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.03 110.799 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -62.16 -26.62 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 72.31 110.927 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.99 -40.21 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 65.03 110.952 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.07 -26.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.2 m -52.21 140.85 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.858 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.1 -20.99 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.51 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.46 -39.82 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 75.32 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 57.98 41.99 23.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.237 -1.347 . . . . 73.1 110.722 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -105.0 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.946 -1.025 . . . . 75.33 111.202 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.79 157.39 52.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.772 0.796 . . . . 73.21 110.804 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.667 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.0 Cg_endo -69.61 172.31 12.73 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.666 2.244 . . . . 71.35 112.409 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -97.75 116.47 30.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CD1' HD12 ' A' ' 10' ' ' ILE . 40.9 mm -90.14 143.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.146 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.64 139.73 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.815 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.788 HD12 ' HA2' ' A' ' 89' ' ' GLY . 7.1 pt -146.51 117.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.069 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.69 -118.56 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.766 -0.73 . . . . 64.24 112.471 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -110.26 25.03 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 74.1 110.85 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.92 144.64 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.159 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.19 146.21 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.52 127.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 55.43 111.142 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.48 -52.72 31.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.814 -0.708 . . . . 71.41 112.459 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.64 -153.87 24.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 34.41 112.527 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -51.98 -36.21 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 62.15 110.895 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -49.16 68.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.897 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.55 -43.52 26.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.87 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.795 HD21 HD22 ' A' ' 25' ' ' LEU . 2.7 tt -55.31 -34.18 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -76.87 -41.81 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 61.45 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 52.31 111.077 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.504 HD12 HD13 ' A' ' 85' ' ' LEU . 68.3 mt -64.49 -39.58 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.526 ' OE1' HD22 ' A' ' 82' ' ' LEU . 12.0 tp10 -57.74 -29.47 64.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 64.05 110.896 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.05 -54.14 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 73.33 110.915 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.98 -26.12 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.38 34.56 6.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.771 -0.728 . . . . 50.42 112.539 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.51 26.42 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 62.22 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.529 HD13 ' HD3' ' A' ' 29' ' ' LYS . 4.3 pp -78.9 -36.31 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 54.1 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.502 ' N ' HD12 ' A' ' 82' ' ' LEU . 35.5 t70 -55.98 -55.55 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 75.53 110.852 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -61.77 -33.27 73.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -62.58 -55.89 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 54.43 110.943 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.58 -21.41 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 63.12 110.944 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -40.0 46.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.913 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -147.04 -42.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.32 111.107 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.788 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 119.65 112.06 2.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 63.54 112.394 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.36 130.34 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 73.31 110.915 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -80.12 -31.84 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.1 110.95 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.48 1.032 0 O-C-N 117.483 -3.261 . . . . 74.33 108.992 -168.134 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 121.425 0.458 . . . . 73.42 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 147.48 63.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.627 2.218 . . . . 70.21 112.315 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.38 92.27 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 62.33 112.474 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.44 -19.01 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 72.2 110.82 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 167.72 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.885 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -93.76 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 65.11 111.056 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.89 131.34 54.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 71.34 110.82 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.403 HG22 HG22 ' B' ' 62' ' ' ILE . 21.1 t -98.06 146.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.124 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.663 HG21 HD11 ' B' ' 36' ' ' ILE . 3.1 mp -140.04 154.1 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 62.13 111.121 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.788 HG21 ' HE3' ' B' ' 23' ' ' LYS . 18.6 tt -142.22 140.78 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.149 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 74.03 110.94 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.575 HG23 ' HB3' ' B' ' 58' ' ' PRO . 0.1 OUTLIER -154.53 151.13 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.208 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.403 ' HB3' ' HD2' ' B' ' 14' ' ' PRO . 32.6 mtt85 -84.34 154.57 63.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 62.53 110.874 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 13' ' ' ARG . 53.9 Cg_endo -69.71 78.28 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.733 2.289 . . . . 43.33 112.355 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.35 102.85 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 50.25 112.484 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 16' ' ' CYS 0.315 37.2 t 162.24 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 C-N-CA 129.261 3.024 . . . . 70.0 116.412 174.022 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -63.44 -172.0 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.427 -2.582 . . . . 51.03 112.327 176.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -117.04 58.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 124.178 0.991 . . . . 64.04 110.437 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.51 ' SG ' HG21 ' B' ' 12' ' ' THR . 26.8 p -93.03 45.56 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.082 -1.011 . . . . 72.12 110.949 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -44.46 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.01 111.102 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 31.3 mmt180 -62.14 -41.63 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 54.42 110.857 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.29 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.788 ' HE3' HG21 ' B' ' 10' ' ' ILE . 36.7 mmtm -64.29 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 53.11 110.859 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' B' ' 21' ' ' ARG . . . -51.7 -41.15 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.063 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.791 HD22 HD21 ' B' ' 73' ' ' LEU . 3.6 tt -88.42 -46.42 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.997 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.71 -42.73 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.51 111.011 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.5 71.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 64.1 111.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -24.01 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.828 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.525 ' HD3' HD13 ' B' ' 82' ' ' LEU . 2.0 mmpt? -93.44 -10.39 35.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.956 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.43 6.89 88.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 71.34 112.476 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.39 154.07 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.739 0.304 . . . . 73.43 111.119 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.88 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.938 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.898 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -149.88 124.33 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.52 110.925 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -77.3 159.99 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.873 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.663 HD11 HG21 ' B' ' 9' ' ' ILE . 81.9 mt -137.25 104.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 65.33 111.107 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.43 103.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 53.24 110.929 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.11 178.27 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 61.11 111.085 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.11 26.54 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.56 -34.07 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.33 111.072 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.572 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -136.37 147.61 60.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 73.23 111.165 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -17.05 37.55 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 63.24 112.215 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.75 -37.38 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 64.44 110.917 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.572 HD12 ' CG2' ' B' ' 41' ' ' THR . 24.4 mt -89.68 -50.6 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -52.39 -29.88 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.931 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.99 88.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 72.11 111.052 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -73.34 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 12.1 ttp -71.41 -26.03 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.03 110.809 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -62.06 -26.63 68.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 72.31 110.911 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -69.98 -40.32 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 65.03 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.08 -26.32 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 75.41 110.836 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.6 m -52.01 140.84 19.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.903 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.07 -21.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 72.33 112.508 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.47 -39.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 75.32 110.865 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 54.75 44.73 28.04 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.914 1.285 . . . . 73.1 110.746 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -105.25 -60.2 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.389 -1.278 . . . . 75.33 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.73 157.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.21 110.866 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.668 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.2 Cg_endo -69.72 172.32 12.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.645 2.23 . . . . 71.35 112.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -97.73 116.34 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.921 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.49 ' CD1' HD12 ' B' ' 10' ' ' ILE . 40.9 mm -90.01 143.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.138 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.69 139.67 42.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.809 HD12 ' HA2' ' B' ' 89' ' ' GLY . 7.1 pt -146.55 117.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.53 111.115 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.89 -118.66 7.5 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.694 -0.765 . . . . 64.24 112.457 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -110.24 25.06 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.1 110.907 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.2 t -117.89 144.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 74.32 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.14 146.21 26.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.854 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.52 127.92 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 55.43 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.49 -52.61 32.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 71.41 112.486 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.59 -153.92 24.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.753 . . . . 34.41 112.476 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -51.94 -36.26 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 62.15 110.867 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -49.25 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 75.02 110.819 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.49 -43.54 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.44 110.937 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.791 HD21 HD22 ' B' ' 25' ' ' LEU . 2.7 tt -55.24 -34.3 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 62.13 110.95 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.85 -41.83 42.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 61.45 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.71 -41.47 67.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 52.31 111.124 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.5 HD12 HD13 ' B' ' 85' ' ' LEU . 67.9 mt -64.38 -39.73 94.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' B' ' 25' ' ' LEU . 12.0 tp10 -57.63 -29.52 64.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 64.05 110.88 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.04 -54.16 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 73.33 110.858 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.96 -26.09 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.861 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.32 34.63 6.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 50.42 112.502 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.62 26.42 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 62.22 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.528 HD22 ' OE1' ' B' ' 77' ' ' GLU . 4.3 pp -78.83 -36.35 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 54.1 110.956 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.495 ' N ' HD12 ' B' ' 82' ' ' LEU . 35.5 t70 -56.03 -55.51 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.874 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -61.7 -33.29 73.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.877 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.5 HD13 HD12 ' B' ' 76' ' ' LEU . 0.5 OUTLIER -62.61 -55.89 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 54.43 110.969 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.49 -21.44 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.947 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -40.1 46.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.931 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -146.99 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.809 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 119.64 111.95 2.38 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.702 -0.761 . . . . 63.54 112.465 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.33 130.36 30.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.31 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.539 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.8 OUTLIER -80.15 -31.39 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 71.1 110.9 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.473 0.699 0 O-C-N 117.595 -3.191 . . . . 74.33 108.673 -170.696 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 121.392 0.44 . . . . 73.05 112.552 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.66 20.02 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.659 2.24 . . . . 72.13 112.376 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.93 -170.37 35.04 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.722 -0.751 . . . . 74.45 112.466 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -101.19 -176.25 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 64.24 110.91 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -153.92 162.72 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.43 -173.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 64.2 111.108 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -143.24 128.86 19.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.02 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.7 150.36 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.154 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.726 HG21 HD11 ' A' ' 36' ' ' ILE . 3.3 mp -139.63 153.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.235 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.601 HD13 ' HE3' ' A' ' 23' ' ' LYS . 11.1 tt -132.65 136.49 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.141 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.8 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.956 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.14 152.77 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.02 111.098 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.966 HH12 ' HA ' ' B' ' 16' ' ' CYS . 1.8 mtt180 -66.43 160.12 68.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 75.43 110.853 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 87.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 44.33 112.266 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.8 97.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 50.14 112.51 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.024 ' C ' HH12 ' B' ' 13' ' ' ARG . 0.0 OUTLIER -177.6 -110.79 0.0 OUTLIER Pre-proline 1 N--CA 1.374 -4.27 2 N-CA-C 86.928 -8.916 . . . . 73.01 86.928 -176.219 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.699 ' N ' HH12 ' B' ' 13' ' ' ARG . 53.1 Cg_endo -34.24 -176.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 1 C-N-CA 135.025 10.484 . . . . 73.45 112.279 -161.741 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.52 -77.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 115.564 -2.16 . . . . 62.24 111.34 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.74 47.13 0.15 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 125.021 1.328 . . . . 62.22 110.902 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -42.49 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.52 111.109 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.5 -47.13 80.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 73.5 110.94 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.87 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.14 111.126 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HE3' HD13 ' A' ' 10' ' ' ILE . 25.7 mmtp -63.97 -45.71 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.852 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -60.36 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 52.35 111.103 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.622 HD11 ' HG2' ' A' ' 77' ' ' GLU . 21.8 tp -51.82 -53.88 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.908 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 33' ' ' PHE . 17.9 mt -58.18 -22.47 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.902 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.89 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 70.52 111.1 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.41 -35.56 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.848 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -107.96 16.28 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.05 110.868 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.41 20.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 54.52 112.425 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.01 156.77 39.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 74.14 111.05 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.23 157.79 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.706 ' HB3' HD13 ' A' ' 26' ' ' LEU . 24.0 p90 -170.23 153.45 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.894 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.53 127.12 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.35 155.65 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.726 HD11 HG21 ' A' ' 9' ' ' ILE . 77.7 mt -130.34 124.57 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 61.12 111.14 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.45 98.1 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.951 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.58 179.22 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.036 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.31 26.35 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.43 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.52 -35.93 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.01 111.162 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.94 147.58 63.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.727 . . . . 74.14 111.158 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.72 -14.63 36.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.276 . . . . 75.14 112.369 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.35 -48.51 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.7 -57.87 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.958 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 16.5 ptm180 -53.49 -28.32 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -71.29 -36.46 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 61.52 111.159 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.0 -49.04 40.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.979 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.39 -20.34 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 63.33 110.8 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -63.5 -53.48 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 73.25 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.42 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.862 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.26 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.832 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -51.94 163.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 65.22 110.845 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.92 117.1 3.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.504 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.93 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 51.02 110.902 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.46 49.18 0.81 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 74.0 111.9 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.698 HG23 ' CD2' ' A' ' 57' ' ' PHE . 3.6 t -94.49 -26.91 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 120.976 -1.078 . . . . 71.45 111.14 -176.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.698 ' CD2' HG23 ' A' ' 56' ' ' THR . 1.7 p90 -138.86 157.35 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.691 0.758 . . . . 75.42 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.22 3.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.813 2.342 . . . . 74.01 112.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.92 125.14 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.87 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.009 HG21 HD13 ' A' ' 73' ' ' LEU . 41.3 mm -96.5 115.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.125 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.18 117.31 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.635 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.9 pt -114.22 95.44 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.1 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.05 -97.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.505 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.2 38.81 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 72.22 110.855 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -139.4 143.05 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.53 111.182 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.45 145.76 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.9 t -135.41 138.13 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 63.24 111.111 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.14 -48.14 40.14 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 70.35 112.555 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.17 -155.81 26.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 63.14 112.507 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -52.06 -29.95 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 75.5 110.93 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.59 -54.35 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 51.11 110.796 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.42 -41.64 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 74.15 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.009 HD13 HG21 ' A' ' 60' ' ' ILE . 3.6 tp -52.0 -29.87 22.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.914 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -37.95 29.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.9 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 70.11 111.11 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.95 -42.26 75.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.622 ' HG2' HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.09 -30.43 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 70.43 110.964 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.02 -41.48 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.926 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -70.08 -29.84 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.2 33.39 3.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 62.15 112.524 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 64.23 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 77' ' ' GLU . 3.1 pp -87.42 -38.06 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.63 -59.91 3.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.851 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.6 -26.37 67.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.76 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.635 ' HG ' HG21 ' A' ' 62' ' ' ILE . 2.6 tt -68.68 -42.14 78.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.939 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 86' ' ' LEU . 4.6 pp -89.83 -15.03 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.909 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.98 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 63.2 110.929 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.0 p -145.53 -52.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.25 111.132 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 41.34 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 63.02 112.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.26 137.86 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 74.32 110.942 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.44 -20.49 50.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.975 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 C--O 1.244 0.773 0 O-C-N 120.695 -1.253 . . . . 75.15 109.454 179.872 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 121.414 0.452 . . . . 73.05 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.58 20.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.603 2.202 . . . . 72.13 112.378 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.93 -170.49 35.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 74.45 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -101.19 -176.24 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 64.24 110.929 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -153.99 162.66 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m -108.32 -173.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 64.2 111.098 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -143.23 128.92 19.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.509 . . . . 61.02 110.935 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.82 150.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.116 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.707 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -139.69 153.23 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.45 111.085 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.614 HD13 ' HE3' ' B' ' 23' ' ' LYS . 11.2 tt -132.75 136.47 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.84 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.19 152.71 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.133 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 1.024 HH12 ' C ' ' A' ' 16' ' ' CYS . 1.8 mtt180 -66.31 160.07 67.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 75.43 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 87.72 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.732 2.288 . . . . 44.33 112.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.7 95.3 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.695 -0.764 . . . . 50.14 112.473 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.966 ' HA ' HH12 ' A' ' 13' ' ' ARG 0.273 0.8 OUTLIER -173.05 -66.93 0.0 OUTLIER Pre-proline 0 N--CA 1.408 -2.54 0 C-N-CA 116.039 -2.264 . . . . 73.01 108.968 -169.859 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' B' ' 16' ' ' CYS . 53.0 Cg_endo -75.64 -174.66 2.1 Favored 'Trans proline' 0 C--O 1.231 0.145 1 C-N-CA 130.695 7.597 . . . . 73.45 112.27 -179.348 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 114.584 -2.626 . . . . 62.24 110.746 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.57 47.1 0.14 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 121.251 1.841 . . . . 62.22 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -42.42 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.48 -47.22 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' B' ' 10' ' ' ILE . . . -57.01 -53.97 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.069 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.614 ' HE3' HD13 ' B' ' 10' ' ' ILE . 25.6 mmtp -63.9 -45.72 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.879 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.69 -60.34 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 52.35 111.089 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.604 HD11 ' HG2' ' B' ' 77' ' ' GLU . 21.8 tp -51.88 -53.71 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.954 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' B' ' 33' ' ' PHE . 17.8 mt -58.32 -22.38 52.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.891 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.6 -20.03 25.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.52 111.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.29 -35.67 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.799 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -107.86 16.17 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 71.05 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.84 27.42 20.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 54.52 112.506 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.69 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 74.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.1 157.75 22.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.709 ' HB3' HD13 ' B' ' 26' ' ' LEU . 23.8 p90 -170.18 153.54 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.941 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.55 127.08 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 65.51 110.935 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.33 155.65 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.96 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.707 HD11 HG21 ' B' ' 9' ' ' ILE . 77.7 mt -130.27 124.56 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.286 -0.415 . . . . 61.12 111.15 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -82.51 98.09 8.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.963 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.47 179.24 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.195 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.32 26.36 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 54.43 110.799 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.46 -36.12 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 64.01 111.167 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.92 147.59 63.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 74.14 111.115 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 54.0 Cg_endo -69.7 -14.69 36.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 75.14 112.384 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.33 -48.58 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.65 -57.87 7.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 16.5 ptm180 -53.45 -28.38 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 62.32 110.903 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -71.24 -36.56 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 61.52 111.071 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.99 -49.06 40.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.27 -20.39 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 63.33 110.859 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -63.45 -53.54 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.38 -36.15 82.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.912 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.15 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.14 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -51.94 163.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 65.22 110.876 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.04 117.02 3.01 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.665 -0.779 . . . . 72.02 112.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.91 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 51.02 110.893 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.94 47.6 0.87 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.527 0.936 . . . . 74.0 113.527 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.696 HG23 ' CD2' ' B' ' 57' ' ' PHE . 3.7 t -90.4 -26.88 19.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.453 . . . . 71.45 111.186 -175.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.696 ' CD2' HG23 ' B' ' 56' ' ' THR . 1.7 p90 -138.89 157.27 71.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 75.42 110.928 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.24 3.83 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.777 2.318 . . . . 74.01 112.325 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.93 125.09 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.872 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.966 HG21 HD13 ' B' ' 73' ' ' LEU . 41.4 mm -96.53 115.76 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.24 111.153 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.14 117.32 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.898 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.635 HG21 ' HG ' ' B' ' 85' ' ' LEU . 2.9 pt -114.22 95.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.1 111.076 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.16 -97.53 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 73.11 112.437 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.26 38.8 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 72.22 110.827 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 89.2 t -139.38 143.06 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 72.53 111.163 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.38 145.73 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.36 138.18 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 63.24 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.29 -48.11 41.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 70.35 112.456 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.82 26.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.683 -0.77 . . . . 63.14 112.426 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -51.93 -30.06 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 75.5 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.5 -54.48 36.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 51.11 110.747 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -81.37 -41.68 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 74.15 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.966 HD13 HG21 ' B' ' 60' ' ' ILE . 3.6 tp -52.0 -29.78 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 71.54 110.922 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.73 -37.88 29.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.11 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.96 -42.19 75.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 70.31 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.604 ' HG2' HD11 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -59.12 -30.49 68.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.879 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.03 -41.46 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 72.43 110.913 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -70.0 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.15 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.25 33.43 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 62.15 112.483 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -116.73 29.98 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 64.23 110.779 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' B' ' 77' ' ' GLU . 3.1 pp -87.45 -38.02 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.77 -59.8 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.63 -26.35 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 70.43 110.776 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.635 ' HG ' HG21 ' B' ' 62' ' ' ILE . 2.6 tt -68.68 -42.08 78.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.956 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.408 ' C ' HD12 ' B' ' 86' ' ' LEU . 4.6 pp -89.89 -15.0 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.944 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.97 20.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 63.2 110.932 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -145.6 -52.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 64.25 111.067 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.36 41.19 7.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 63.02 112.556 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.2 138.02 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 74.32 110.895 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.6 -18.22 54.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 64.13 110.945 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--O 1.249 1.046 0 N-CA-C 107.755 -1.202 . . . . 75.15 107.755 173.077 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.446 0.47 . . . . 63.32 112.574 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.75 164.37 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.769 2.313 . . . . 71.03 112.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.16 175.62 25.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 54.52 112.508 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -115.81 157.23 24.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 51.23 110.845 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.3 ptm -165.69 171.68 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 70.12 110.838 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 88' ' ' THR . 30.6 m -81.65 -177.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.048 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.86 143.88 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.22 110.851 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.795 HG22 HG23 ' A' ' 62' ' ' ILE . 20.7 t -86.31 134.52 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.105 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -135.01 148.23 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.52 111.186 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.698 HD11 ' CG ' ' A' ' 58' ' ' PRO . 19.8 tt -133.36 134.31 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.187 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.441 ' CD1' HD12 ' A' ' 36' ' ' ILE . 19.9 m-85 -97.32 100.28 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 62.5 110.934 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.77 173.79 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 60.42 111.089 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.83 159.6 34.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.734 . . . . 74.13 110.899 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.78 36.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 51.54 112.32 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.59 116.05 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 70.44 112.475 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 159.5 -51.18 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 127.596 2.359 . . . . 43.43 113.639 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.97 -171.78 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 119.073 0.705 . . . . 62.43 112.349 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.25 39.46 0.72 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.377 1.084 . . . . 62.54 112.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.19 -11.59 32.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.327 -1.483 . . . . 63.13 110.885 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.6 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 62.35 111.108 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.46 -59.18 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.64 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 72.1 111.071 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.672 ' HE3' HG21 ' A' ' 10' ' ' ILE . 34.8 mmtm -67.88 -35.05 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 53.21 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 52.45 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD23 ' HG ' ' A' ' 73' ' ' LEU . 16.6 tp -56.07 -45.48 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 31.34 110.92 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 31' ' ' ALA . 14.4 mt -55.99 -25.5 44.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.886 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.1 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 111.133 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.28 -24.14 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.881 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.771 ' HD2' HD13 ' A' ' 82' ' ' LEU . 11.0 pttt -117.56 17.59 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 70.52 110.944 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.82 22.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 42.22 112.538 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -70.08 170.02 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 72.21 111.087 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.98 159.76 15.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.92 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -168.63 159.82 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 63.54 110.904 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.5 120.7 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.89 154.97 24.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' A' ' 11' ' ' TYR . 71.3 mt -132.78 115.98 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 70.24 111.183 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.68 109.87 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.41 110.923 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.51 179.94 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 52.41 111.081 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.18 27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 -33.95 3.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.137 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.95 147.61 64.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 74.14 111.189 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.77 -15.55 37.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 71.42 112.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.15 -55.95 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 63.52 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 7.9 ptm180 -52.19 -33.85 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.828 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.31 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.055 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.68 -59.55 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 73.5 110.823 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.15 -26.82 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 64.53 110.843 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.13 -26.06 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 44.2 110.851 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -52.16 -54.78 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.922 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -74.77 -57.99 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.22 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 t 60.44 46.24 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.841 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.31 -149.57 24.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 63.41 112.508 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.27 170.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 74.32 110.852 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -131.34 22.34 4.78 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 122.931 0.492 . . . . 74.42 111.053 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -52.86 12.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.833 0.349 . . . . 72.25 111.116 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.38 158.15 47.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.735 0.778 . . . . 72.14 110.858 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.698 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.3 Cg_endo -69.77 176.31 6.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 71.35 112.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.32 111.44 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.976 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 10' ' ' ILE . 37.7 mm -91.82 144.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.111 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.7 139.82 31.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.795 HG23 HG22 ' A' ' 8' ' ' VAL . 5.1 mt -144.13 98.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.35 111.113 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' VAL . . . 52.12 72.27 0.54 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.475 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.68 55.52 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 74.4 110.868 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 63' ' ' GLY . 56.6 t -140.03 104.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.157 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.83 110.24 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 61.31 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 127.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 53.44 111.211 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.15 -45.96 27.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 62.45 112.455 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.14 -151.52 23.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 72.15 112.459 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.22 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 54.25 110.889 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -49.85 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 70.54 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -80.8 -44.04 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 65.43 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.475 ' HG ' HD23 ' A' ' 25' ' ' LEU . 11.9 tp -51.79 -42.1 62.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 52.22 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.06 -40.82 60.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.35 -52.41 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 64.13 111.006 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.71 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 71.43 110.886 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.9 -41.52 98.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 70.13 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.4 -52.97 62.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.31 -30.03 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.875 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.0 49.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 73.12 112.533 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.05 29.94 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 74.34 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.7 pp -88.95 -37.03 15.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.964 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' N ' HD12 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -55.48 -60.92 2.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 70.1 110.847 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -65.98 -22.19 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 65.11 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 62' ' ' ILE . 1.1 tt -69.65 -51.37 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.914 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.4 pp -75.33 -9.93 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.879 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -40.1 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.55 110.877 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.623 ' O ' HG21 ' A' ' 6' ' ' VAL . 2.0 t -140.94 -41.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 51.44 111.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.27 109.43 2.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 64.11 112.508 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -144.63 139.07 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 73.22 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.77 -19.99 22.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 62.2 110.947 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mt . . . . . 0 C--O 1.246 0.915 0 O-C-N 121.105 -0.997 . . . . 70.32 108.592 -177.208 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 121.487 0.493 . . . . 63.32 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 164.4 34.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.788 2.326 . . . . 71.03 112.29 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.16 175.54 25.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 54.52 112.5 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -115.75 157.19 24.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 51.23 110.779 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 13.3 ptm -165.73 171.63 12.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 70.12 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 88' ' ' THR . 30.3 m -81.61 -177.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.023 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.88 143.89 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 71.22 110.844 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.789 HG22 HG23 ' B' ' 62' ' ' ILE . 21.0 t -86.34 134.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 71.34 111.1 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.95 148.25 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 73.52 111.168 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.703 HD11 ' CG ' ' B' ' 58' ' ' PRO . 19.8 tt -133.34 134.33 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.131 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.443 ' CD1' HD12 ' B' ' 36' ' ' ILE . 19.9 m-85 -97.35 100.24 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 62.5 110.9 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.73 173.73 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 60.42 111.125 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.76 159.51 34.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 74.13 110.968 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.63 36.35 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 51.54 112.369 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.56 116.34 0.39 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.79 -0.719 . . . . 70.44 112.49 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.45 ' SG ' ' HD3' ' B' ' 17' ' ' PRO 0.256 25.1 p 154.11 -39.34 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 129.225 3.01 . . . . 43.43 116.581 173.39 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' PRO . . . . . 0.45 ' HD3' ' SG ' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.27 -172.02 0.58 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 117.13 -1.447 . . . . 62.43 112.331 170.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -86.97 49.0 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.468 1.127 . . . . 62.54 110.819 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.81 -11.51 20.71 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.095 -1.003 . . . . 63.13 110.909 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.56 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 62.35 111.035 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.52 -59.2 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 64.3 110.812 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.67 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.683 ' HE3' HG21 ' B' ' 10' ' ' ILE . 34.9 mmtm -67.93 -35.09 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 53.21 110.848 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.62 -64.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 52.45 111.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.476 HD23 ' HG ' ' B' ' 73' ' ' LEU . 16.7 tp -56.02 -45.47 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 31.34 110.914 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' B' ' 31' ' ' ALA . 14.4 mt -56.06 -25.43 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 70.42 110.866 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.98 -20.1 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.225 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.37 -24.12 57.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.768 ' HD2' HD13 ' B' ' 82' ' ' LEU . 11.1 pttt -117.51 17.59 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 70.52 110.903 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.14 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.751 . . . . 42.22 112.49 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' B' ' 29' ' ' LYS . . . -70.08 170.04 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 72.21 111.053 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -104.96 159.75 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.97 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -168.63 159.78 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 63.54 110.801 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.42 120.71 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.88 155.06 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.906 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' B' ' 11' ' ' TYR . 71.7 mt -132.81 115.95 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 70.24 111.136 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.77 110.0 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.853 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.58 179.98 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 52.41 111.042 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.17 26.97 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.86 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 72.54 111.082 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.97 147.64 64.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 74.14 111.169 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 52.8 Cg_endo -69.87 -15.55 36.73 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 71.42 112.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.94 -42.69 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.892 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.15 -56.07 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 63.52 110.888 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 ptm180 -52.09 -33.9 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.45 110.81 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.29 94.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.128 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.71 -59.39 4.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 61.7 mtp -63.32 -26.75 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.53 110.845 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -68.11 -25.98 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 44.2 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.15 -54.76 26.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -74.82 -58.02 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.849 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t 60.52 46.2 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 61.33 110.796 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.3 -149.59 24.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.23 169.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 74.32 110.846 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.97 26.66 4.6 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.994 -0.441 . . . . 74.42 111.362 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -52.83 11.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.839 0.352 . . . . 72.25 111.155 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.36 158.04 47.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 72.14 110.955 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.703 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.8 Cg_endo -69.63 176.33 6.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 71.35 112.339 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.33 111.51 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.402 ' CD1' HD12 ' B' ' 10' ' ' ILE . 37.9 mm -91.84 144.77 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.096 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.68 139.82 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 75.33 110.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.789 HG23 HG22 ' B' ' 8' ' ' VAL . 5.2 mt -144.02 98.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 65' ' ' VAL . . . 52.03 72.36 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.822 -0.704 . . . . 70.43 112.53 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.57 55.59 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 74.4 110.946 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 63' ' ' GLY . 56.1 t -140.07 104.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 72.31 111.125 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.93 110.23 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.895 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.06 127.8 70.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.474 . . . . 53.44 111.137 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.07 -46.02 26.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.814 -0.708 . . . . 62.45 112.475 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.12 -151.54 23.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 72.15 112.476 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.18 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 54.25 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -49.9 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 70.54 110.837 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -80.73 -44.07 19.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.852 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.476 ' HG ' HD23 ' B' ' 25' ' ' LEU . 11.8 tp -51.84 -42.04 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 52.22 110.915 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.0 -40.9 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 73.24 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.46 59.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 64.13 111.05 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.7 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.904 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.83 -41.48 97.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 70.13 110.943 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.46 -52.92 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 62.14 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -63.43 -29.86 71.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.935 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.98 49.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 73.12 112.534 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.14 29.97 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 74.34 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.7 pp -89.04 -37.12 15.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.89 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -60.96 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 70.1 110.882 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -66.07 -22.19 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.805 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.603 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.1 tt -69.68 -51.23 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.957 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.603 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.4 pp -75.4 -9.91 58.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.924 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.42 -40.09 16.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 65.55 110.868 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.624 ' O ' HG21 ' B' ' 6' ' ' VAL . 2.0 t -140.9 -41.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 51.44 111.206 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.34 109.48 2.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.664 -0.779 . . . . 64.11 112.426 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -144.65 138.98 27.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 73.22 110.962 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -18.62 23.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 62.2 110.919 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.242 0.709 0 N-CA-C 107.004 -1.48 . . . . 70.32 107.004 178.596 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.462 0.479 . . . . 41.32 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.68 -47.56 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.274 . . . . 63.21 112.338 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.56 169.05 12.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.857 -0.687 . . . . 51.05 112.518 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -120.14 127.48 52.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.778 0.323 . . . . 45.34 110.911 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.16 -171.68 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.95 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 88' ' ' THR . 2.3 t -93.37 163.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 62.44 111.161 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.21 138.42 54.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 52.13 110.907 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 62' ' ' ILE . 16.5 t -79.82 140.24 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.115 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.66 146.15 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.122 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.659 HG21 ' CE ' ' A' ' 23' ' ' LYS . 13.0 tt -144.57 133.85 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.124 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -89.96 101.4 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.44 110.907 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -176.08 160.07 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 65.3 111.153 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -69.0 159.81 81.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 63.31 110.802 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.73 24.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 52.22 112.315 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.46 105.65 0.18 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.709 -0.758 . . . . 51.02 112.439 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 37.3 t 166.51 -51.16 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 127.137 2.175 . . . . 73.43 113.915 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -72.13 -170.71 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 O-C-N 121.829 0.384 . . . . 62.41 112.405 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -92.76 38.13 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.78 0.8 . . . . 71.34 111.303 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.85 30.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 120.984 -1.073 . . . . 64.45 110.832 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.88 33.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 53.14 111.102 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -68.2 -61.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.21 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -51.22 -40.64 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 75.22 111.045 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' CE ' HG21 ' A' ' 10' ' ' ILE . 23.1 mmtp -74.01 -34.61 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 65.31 111.058 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD23 ' CD1' ' A' ' 73' ' ' LEU . 8.4 tp -70.46 -51.21 30.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 54.23 110.907 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 33' ' ' PHE . 9.2 mt -53.02 -32.45 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.23 110.906 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.72 70.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.031 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -39.2 57.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.858 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HE2' HD22 ' A' ' 82' ' ' LEU . 9.3 ptpt -90.02 10.6 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.61 22.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 63.41 112.555 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -75.59 149.23 38.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 61.12 111.034 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -99.25 118.86 36.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 26' ' ' LEU . 20.0 p90 -118.86 177.85 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.827 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.11 113.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 63.35 110.76 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.42 141.02 37.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 75.23 110.897 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.779 HG21 HD22 ' A' ' 44' ' ' LEU . 67.8 mt -116.92 119.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 73.22 111.088 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.19 102.96 9.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 75.41 110.893 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.34 -179.91 7.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 63.04 111.093 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.78 24.21 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 61.31 110.856 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.26 13.15 4.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 62.01 111.129 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.691 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -178.12 147.24 0.59 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 73.51 111.163 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.59 37.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.229 . . . . 52.32 112.306 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.39 -44.66 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.23 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.779 HD22 HG21 ' A' ' 36' ' ' ILE . 8.3 mt -90.07 -46.99 8.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.901 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -52.07 -33.58 39.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.829 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.14 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.119 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.37 -51.05 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 64.3 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.2 mmm -63.78 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 72.1 110.947 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.66 -25.73 68.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.846 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -52.09 -44.54 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.83 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.51 -59.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 64.53 110.911 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.92 33.72 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.05 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.85 -161.65 5.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.789 -0.72 . . . . 45.52 112.446 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.905 HH22 HH12 ' B' ' 21' ' ' ARG . 12.1 mmt180 -59.06 179.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 72.52 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' HB3' ' CD1' ' B' ' 18' ' ' TYR 0.292 15.6 p-10 -95.26 50.88 1.28 Allowed 'General case' 0 N--CA 1.479 0.992 0 O-C-N 118.429 -2.669 . . . . 73.11 109.969 -179.733 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.8 p -70.72 -172.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 113.861 -1.518 . . . . 70.04 111.166 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.5 156.88 1.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.734 0.778 . . . . 72.41 110.846 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.2 Cg_endo -69.85 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 65.34 112.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.47 112.98 26.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 65.1 110.863 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.806 HG21 HD23 ' A' ' 73' ' ' LEU . 32.7 mm -89.86 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.079 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.727 ' O ' HD13 ' A' ' 62' ' ' ILE . 2.9 m-85 -142.91 131.74 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.89 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.806 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.5 mm -129.67 104.04 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.11 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.418 ' CA ' HG11 ' A' ' 6' ' ' VAL . . . 66.82 -89.09 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 73.23 112.533 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.27 24.55 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.943 0.401 . . . . 74.23 110.895 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 62' ' ' ILE . 8.0 p -107.27 149.71 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 73.15 111.119 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.84 124.47 48.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.3 110.89 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 69' ' ' GLY . 96.0 t -124.33 123.55 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 70.22 111.153 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.94 -37.42 35.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.713 -0.756 . . . . 51.44 112.468 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 154.98 -146.2 13.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 62.51 112.452 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -58.29 -22.74 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 75.1 110.844 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.89 -59.1 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.823 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.09 -35.11 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 44.55 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 60' ' ' ILE . 1.8 tm? -51.74 -46.02 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.854 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -77.04 -28.32 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 75.23 110.839 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.69 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.23 111.131 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 81' ' ' LYS . 91.7 mt -59.99 -39.61 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.578 ' HB2' HD21 ' A' ' 25' ' ' LEU . 8.9 tp10 -59.39 -36.54 76.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 74.53 110.832 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.65 -56.41 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.807 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.14 -21.04 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.23 21.46 35.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 75.02 112.496 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HB2' HD22 ' A' ' 76' ' ' LEU . 3.3 mmtt -77.27 -14.85 59.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 75.41 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.574 HD22 ' HE2' ' A' ' 29' ' ' LYS . 2.4 pp -50.75 -36.34 36.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.3 -65.03 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 71.44 110.936 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.15 -17.75 63.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.806 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.8 tt -74.72 -51.81 13.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.939 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.577 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -75.24 -9.84 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 53.3 110.862 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.53 -40.2 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 70.11 110.868 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.7 t -139.53 -41.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.03 111.157 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 65.35 1.41 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 65.01 112.554 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.15 149.35 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 62.41 110.822 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.56 -24.73 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 74.54 110.934 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 C--O 1.246 0.905 0 CA-C-O 116.316 -1.802 . . . . 64.02 109.327 -176.865 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 121.433 0.463 . . . . 41.32 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -47.53 0.91 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.782 2.321 . . . . 63.21 112.309 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.57 169.04 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 51.05 112.527 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -120.16 127.58 52.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 45.34 110.917 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -171.73 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 88' ' ' THR . 2.3 t -93.35 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 62.44 111.075 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.29 138.37 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 52.13 110.781 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.716 HG13 ' CD1' ' B' ' 62' ' ' ILE . 16.5 t -79.85 140.33 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 75.33 111.141 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.73 146.11 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.652 HG21 ' CE ' ' B' ' 23' ' ' LYS . 12.9 tt -144.49 133.72 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -89.95 101.41 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.92 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -176.08 160.09 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 65.3 111.122 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -68.81 159.81 80.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 63.31 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.602 2.202 . . . . 52.22 112.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.44 105.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 51.02 112.469 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.17 -53.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.547 0 C-N-CA 127.019 2.128 . . . . 73.43 112.364 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.37 -169.7 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 118.452 0.483 . . . . 62.41 112.423 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 3.2 m-85 -100.87 46.36 0.95 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.528 1.156 . . . . 71.34 109.022 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.89 30.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.998 -1.001 . . . . 64.45 110.84 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.86 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 53.14 111.118 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.905 HH12 HH22 ' A' ' 54' ' ' ARG . 13.1 mmt85 -68.32 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 65.21 110.908 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.423 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -51.32 -40.6 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.018 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.652 ' CE ' HG21 ' B' ' 10' ' ' ILE . 23.1 mmtp -74.01 -34.58 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 65.31 111.143 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.722 HD23 ' CD1' ' B' ' 73' ' ' LEU . 8.5 tp -70.39 -51.23 31.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 54.23 110.981 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' B' ' 33' ' ' PHE . 9.2 mt -53.12 -32.4 47.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.7 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.093 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.81 -39.2 57.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 65.23 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.579 ' HE2' HD22 ' B' ' 82' ' ' LEU . 9.2 ptpt -90.06 10.76 22.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.57 22.19 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.754 -0.736 . . . . 63.41 112.514 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.526 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -75.55 149.25 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 61.12 111.07 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -99.15 118.75 36.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 74.33 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.561 ' CD2' HD13 ' B' ' 26' ' ' LEU . 20.0 p90 -118.82 177.92 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.806 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.17 113.47 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.765 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.33 140.91 37.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 75.23 110.954 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.771 HG21 HD22 ' B' ' 44' ' ' LEU . 67.1 mt -116.84 119.35 61.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 73.22 111.154 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.11 103.02 9.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 75.41 110.839 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.38 -179.9 7.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 63.04 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.87 24.13 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.772 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.19 13.0 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 62.01 111.16 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.69 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -178.03 147.3 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 73.51 111.142 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.67 37.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 52.32 112.324 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.35 -44.72 58.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.883 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.771 HD22 HG21 ' B' ' 36' ' ' ILE . 8.2 mt -90.01 -46.98 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.935 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -51.96 -33.58 38.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.23 95.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.23 111.091 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.3 -51.06 40.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.9 mmm -63.75 -32.45 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.1 110.917 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.57 -25.89 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.804 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.92 -44.56 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.58 -59.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 64.53 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.91 33.75 12.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 72.05 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.83 -161.69 5.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 45.52 112.537 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.0 -179.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 72.52 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -76.79 34.99 0.15 Allowed 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 126.977 2.111 . . . . 73.11 114.801 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -79.08 -172.81 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 120.936 -1.102 . . . . 70.04 111.193 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.37 156.76 1.91 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 72.41 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.752 2.301 . . . . 65.34 112.358 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.37 113.0 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 65.1 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.771 HG21 HD23 ' B' ' 73' ' ' LEU . 32.8 mm -89.95 141.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 71.24 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.73 ' O ' HD13 ' B' ' 62' ' ' ILE . 2.9 m-85 -142.95 131.74 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.894 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.804 HG21 ' HG ' ' B' ' 85' ' ' LEU . 2.5 mm -129.7 104.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 74.11 111.064 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.413 ' CA ' HG11 ' B' ' 6' ' ' VAL . . . 66.93 -89.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.681 -0.771 . . . . 73.23 112.5 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.25 24.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 74.23 110.82 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.677 HG12 ' O ' ' B' ' 62' ' ' ILE . 8.0 p -107.3 149.65 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.114 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.7 124.44 48.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.872 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.487 HG12 ' H ' ' B' ' 69' ' ' GLY . 96.8 t -124.43 123.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 70.22 111.1 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -37.45 35.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 51.44 112.523 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.487 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 155.0 -146.14 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 62.51 112.521 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 39.8 t -58.28 -22.71 53.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 75.1 110.827 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.9 -59.1 4.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.85 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.94 -35.26 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 44.55 110.849 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.771 HD23 HG21 ' B' ' 60' ' ' ILE . 1.8 tm? -51.84 -45.9 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.907 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.03 -28.33 54.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.918 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.79 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.045 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' B' ' 81' ' ' LYS . 91.8 mt -59.95 -39.59 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.957 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.57 ' HB2' HD21 ' B' ' 25' ' ' LEU . 8.9 tp10 -59.39 -36.49 75.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 74.53 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -56.45 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -66.07 -21.03 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.852 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.46 35.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 75.02 112.509 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LYS . . . . . 0.534 ' HB2' HD22 ' B' ' 76' ' ' LEU . 3.3 mmtt -77.26 -14.85 59.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 75.41 110.94 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.579 HD22 ' HE2' ' B' ' 29' ' ' LYS . 2.4 pp -50.78 -36.26 36.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.875 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.33 -65.02 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.953 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.11 -17.79 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 54.11 110.879 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.804 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.8 tt -74.74 -51.87 13.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 71.31 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.577 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -75.16 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 53.3 110.984 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -40.15 13.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.11 110.923 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' THR . . . . . 0.443 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.6 t -139.57 -41.1 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.102 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.51 65.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 65.01 112.514 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 149.4 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 62.41 110.828 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.896 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 tt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 116.974 -1.488 . . . . 64.02 110.702 179.131 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 71.14 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.35 55.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 60.44 110.814 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.44 150.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.123 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.6 mp -136.02 151.54 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 70.41 111.144 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' HZ1' ' A' ' 23' ' ' LYS . 11.2 tt -136.06 135.33 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.135 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.4 m-85 -91.68 106.72 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 72.25 110.935 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.95 146.14 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 42.23 111.111 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.1 160.73 81.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 64.43 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 78.22 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 70.15 112.305 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.51 105.42 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 73.43 112.462 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.257 31.7 m 147.08 -28.51 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 131.147 3.779 . . . . 65.3 120.966 164.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.22 -10.88 27.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 113.555 -3.83 . . . . 74.11 112.329 162.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 69.81 64.06 0.24 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.333 1.453 . . . . 73.5 110.99 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.23 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.818 -0.551 . . . . 42.41 110.917 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.36 -22.25 60.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 34.4 111.108 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.72 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 53.52 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HZ1' HG21 ' A' ' 10' ' ' ILE . 8.7 mmtp -76.57 -27.84 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 73.04 110.944 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB3' ' OH ' ' A' ' 74' ' ' TYR . . . -52.33 -45.65 65.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.122 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD23 HD21 ' A' ' 73' ' ' LEU . 11.0 tp -76.1 -52.24 10.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 65.05 110.893 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.709 HD13 ' CD2' ' A' ' 33' ' ' PHE . 8.9 mt -51.64 -30.31 21.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 62.51 110.91 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -37.16 62.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.069 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.41 -24.07 63.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 54.14 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.748 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 2.4 ptpt -111.74 4.66 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.828 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.93 30.95 31.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 63.04 112.441 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . . . -74.25 167.89 20.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 74.22 111.061 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.11 146.57 26.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.907 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.709 ' CD2' HD13 ' A' ' 26' ' ' LEU . 8.9 p90 -150.87 146.54 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 75.04 110.891 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.42 122.61 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -77.16 157.68 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.01 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 9' ' ' ILE . 79.8 mt -135.61 117.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.42 111.127 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.87 106.6 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.86 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.3 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.064 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.18 25.77 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 51.22 110.928 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.57 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.3 111.099 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.537 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -129.17 147.92 66.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 74.24 111.172 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -15.2 37.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.739 2.293 . . . . 72.5 112.347 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.3 -40.98 57.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.883 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.537 HD12 ' CG2' ' A' ' 41' ' ' THR . 18.0 mt -89.11 -46.57 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.933 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -52.0 -46.37 64.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 64.43 110.833 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.8 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 73.41 111.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.72 -58.31 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 64.54 110.846 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.19 -25.17 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 72.03 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.61 67.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.07 -41.93 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.885 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -89.86 10.04 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.37 152.62 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 74.05 110.915 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.46 118.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 70.3 112.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . 2.6 mpp_? 58.32 23.93 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 71.44 110.854 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.1 45.04 1.61 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.536 1.772 . . . . 71.42 109.888 -175.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -53.96 175.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 112.243 -2.253 . . . . 63.33 111.17 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.39 157.05 1.8 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 63.21 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.69 2.01 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.74 2.294 . . . . 50.22 112.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -109.72 149.45 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.412 HD13 HG13 ' A' ' 10' ' ' ILE . 41.1 mm -112.35 147.22 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.45 111.116 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.912 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 89' ' ' GLY . 2.1 pt -121.54 108.02 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.178 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.1 -116.25 6.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 74.43 112.508 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 m -107.86 26.52 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 71.3 110.873 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.1 t -121.5 144.41 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 62.15 111.143 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -97.26 152.9 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 69' ' ' GLY . 57.3 t -140.1 131.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 70.53 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.63 -30.78 28.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 62.24 112.52 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.727 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 136.21 -134.77 7.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.721 . . . . 60.23 112.477 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.467 ' HG ' ' HD2' ' A' ' 74' ' ' TYR . 2.2 t -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 63.32 110.866 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.75 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 63.04 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -43.5 35.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.667 HD21 HD23 ' A' ' 25' ' ' LEU . 1.4 tt -52.33 -40.71 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.916 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.627 ' OH ' ' HB3' ' A' ' 24' ' ' ALA . 9.1 m-85 -79.01 -40.74 30.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.903 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.51 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.11 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.23 -39.43 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.617 ' HA ' HD23 ' A' ' 82' ' ' LEU . 5.1 tm-20 -59.44 -29.92 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.52 110.87 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.09 -51.66 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.34 -29.97 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 55.23 110.86 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 46.14 1.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 65.03 112.484 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -129.81 26.52 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 73.31 110.924 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 29' ' ' LYS . 3.7 pp -90.1 -36.63 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 73.31 110.873 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.84 -62.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.867 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -15.6 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.852 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.3 tt -78.53 -49.04 14.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 53.23 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -76.55 -10.08 59.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.973 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -36.41 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.943 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -131.77 -46.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.218 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.535 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 86.62 65.87 1.39 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.699 -0.762 . . . . 72.33 112.454 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.5 164.62 11.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 73.54 110.86 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.95 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.864 0.364 . . . . 71.14 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.33 55.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 60.44 110.83 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.45 150.14 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 72.1 111.138 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.6 mp -136.05 151.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 70.41 111.129 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.406 HG13 HD13 ' B' ' 60' ' ' ILE . 11.2 tt -136.07 135.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 75.12 111.112 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' B' ' 36' ' ' ILE . 12.4 m-85 -91.77 106.68 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.91 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.91 146.2 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 42.23 111.085 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.09 160.75 81.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 64.43 110.867 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 78.29 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.642 2.228 . . . . 70.15 112.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.5 104.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.455 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m 152.16 -29.99 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 N-CA-C 119.937 3.31 . . . . 65.3 119.937 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -72.67 -8.77 23.02 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 116.695 -1.736 . . . . 74.11 112.331 164.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 63.4 67.59 0.64 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.227 1.811 . . . . 73.5 111.8 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.089 0.956 . . . . 42.41 110.955 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -22.21 60.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 34.4 111.08 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.78 40.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.822 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.436 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -62.37 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 53.52 111.035 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -76.59 -27.84 55.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.402 . . . . 73.04 110.972 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.629 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -52.37 -45.66 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 65.23 111.086 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.659 HD23 HD21 ' B' ' 73' ' ' LEU . 11.1 tp -76.1 -52.2 10.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 65.05 110.922 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.712 HD13 ' CD2' ' B' ' 33' ' ' PHE . 8.9 mt -51.72 -30.27 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.897 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.15 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.08 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.45 -24.08 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 54.14 110.898 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.743 ' HD3' ' HB2' ' B' ' 31' ' ' ALA . 2.4 ptpt -111.7 4.68 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.863 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.92 30.91 30.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 63.04 112.496 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.743 ' HB2' ' HD3' ' B' ' 29' ' ' LYS . . . -74.21 167.85 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 74.22 111.1 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.07 146.56 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.939 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.712 ' CD2' HD13 ' B' ' 26' ' ' LEU . 8.9 p90 -150.84 146.55 26.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.878 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.41 122.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.18 157.7 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.834 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' B' ' 9' ' ' ILE . 79.8 mt -135.6 117.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.42 111.162 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.86 106.59 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.32 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 65.4 111.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.15 25.84 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 51.22 110.887 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.58 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 64.3 111.064 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.546 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -129.15 147.88 66.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 74.24 111.167 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -15.24 37.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 72.5 112.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.28 -40.9 58.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' B' ' 41' ' ' THR . 18.0 mt -89.17 -46.59 8.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 65.11 110.887 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -52.01 -46.41 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 64.43 110.804 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.72 92.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 73.41 111.125 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.76 -58.25 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 64.54 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.26 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.03 110.83 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.56 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.909 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.05 -41.99 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.853 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.91 10.12 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 74.45 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.43 152.65 21.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 74.05 110.879 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.41 118.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.41 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 54' ' ' ARG . 2.6 mpp_? 58.39 25.96 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 71.44 110.82 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 45.87 41.08 7.38 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.438 1.113 . . . . 71.42 108.352 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -57.63 175.41 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 63.33 111.188 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.36 157.05 1.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 63.21 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -177.67 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 50.22 112.359 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -109.69 149.44 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.03 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.406 HD13 HG13 ' B' ' 10' ' ' ILE . 40.9 mm -112.33 147.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.122 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.935 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.538 HD12 ' C ' ' B' ' 89' ' ' GLY . 2.1 pt -121.56 108.01 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.14 111.182 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.08 -116.29 6.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 74.43 112.437 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 40.8 m -107.84 26.53 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 71.3 110.815 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -121.46 144.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 62.15 111.153 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -97.36 152.91 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.722 HG12 ' H ' ' B' ' 69' ' ' GLY . 57.5 t -140.13 131.76 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.159 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -30.73 28.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.67 -0.776 . . . . 62.24 112.467 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.722 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 136.2 -134.76 7.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.816 -0.707 . . . . 60.23 112.483 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . 0.539 ' HG ' ' HD2' ' B' ' 74' ' ' TYR . 2.2 t -65.83 -39.39 90.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 63.32 110.891 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.72 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 63.04 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.99 -43.44 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.822 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.659 HD21 HD23 ' B' ' 25' ' ' LEU . 1.3 tt -52.38 -40.68 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.629 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 9.1 m-85 -79.0 -40.7 30.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.925 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.58 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.147 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.18 -39.46 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.914 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.638 ' HA ' HD23 ' B' ' 82' ' ' LEU . 5.1 tm-20 -59.44 -29.93 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 64.52 110.848 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.07 -51.68 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 64.23 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.31 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 55.23 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 46.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 65.03 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -129.79 26.49 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 73.31 110.939 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.695 HD13 ' HE2' ' B' ' 29' ' ' LYS . 3.7 pp -90.04 -36.65 14.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 73.31 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.88 -62.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.849 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -15.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.836 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.412 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.2 tt -78.57 -49.04 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 53.23 110.905 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.412 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -76.5 -10.12 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 60.13 110.967 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -36.43 10.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 21.1 p -131.76 -46.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 62.41 111.155 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.538 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 86.67 65.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.475 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.47 164.57 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 73.54 110.918 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.415 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.4 OUTLIER -96.58 -20.52 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.52 110.958 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--O 1.243 0.734 0 O-C-N 120.082 -1.636 . . . . 71.15 110.465 178.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.649 HG21 ' O ' ' A' ' 88' ' ' THR . 29.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.796 0.332 . . . . 65.24 111.126 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.18 149.44 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 53.42 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 62' ' ' ILE . 61.5 t -84.22 132.87 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 36' ' ' ILE . 3.4 mp -130.85 146.26 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.142 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.48 HD11 ' CG ' ' A' ' 58' ' ' PRO . 12.9 tt -126.09 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.078 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.04 102.14 14.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.452 HG23 ' OE1' ' A' ' 35' ' ' GLU . 14.7 t -175.74 165.92 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 62.33 111.166 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -69.78 160.71 78.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.761 . . . . 73.53 110.816 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -15.9 37.11 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.41 112.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.68 100.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.659 -0.782 . . . . 30.35 112.455 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.662 ' HA ' ' NH2' ' B' ' 13' ' ' ARG . 4.7 m -177.37 -72.6 0.0 OUTLIER Pre-proline 0 C--N 1.295 -1.765 0 N-CA-C 108.92 -0.77 . . . . 73.41 108.92 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -62.5 -177.87 0.33 Allowed 'Trans proline' 0 C--N 1.326 -0.646 0 C-N-CA 124.484 3.456 . . . . 61.35 112.353 -176.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -97.18 59.61 1.62 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.186 0.993 . . . . 65.32 110.314 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.3 p -96.8 30.96 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.053 -1.029 . . . . 63.11 110.945 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.56 -25.78 33.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 34.04 111.145 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 26.1 mtt180 -66.44 -60.53 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -40.17 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.105 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.67 -25.61 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB3' ' OH ' ' A' ' 74' ' ' TYR . . . -51.73 -58.2 7.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 71.14 111.149 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.551 HD11 ' HG3' ' A' ' 77' ' ' GLU . 14.6 tp -62.72 -42.77 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.886 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.9 mt -57.11 -24.12 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.842 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 53.21 111.066 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.1 -26.9 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 54.03 110.791 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD3' HD13 ' A' ' 82' ' ' LEU . 1.3 ptpm? -119.2 15.7 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.909 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.49 28.28 20.6 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 33.53 112.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.747 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -62.76 160.75 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 63.23 111.081 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -96.89 147.11 24.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 26' ' ' LEU . 12.2 p90 -155.84 153.57 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.909 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.33 128.41 48.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.912 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE1' HG23 ' A' ' 12' ' ' THR . 8.9 mm-40 -83.79 159.4 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.901 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 9' ' ' ILE . 78.0 mt -139.65 107.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 72.04 111.217 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.87 105.48 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 73.52 110.957 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.36 178.44 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.4 111.107 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.35 26.25 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.44 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.0 -35.99 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.13 147.59 66.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 72.41 111.064 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -16.84 37.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 74.55 112.344 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.75 -42.17 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 70.43 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.89 -57.81 5.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.95 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.54 45.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.929 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.75 27.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 65.52 111.074 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.41 -29.74 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.46 -26.22 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 54.31 110.871 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.28 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -74.39 -40.75 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.53 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.15 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.35 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -53.11 132.63 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.797 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.93 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.472 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.58 157.69 28.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 73.43 110.855 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.43 26.01 10.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.696 0.76 . . . . 72.32 109.604 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.1 -43.12 35.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.108 -0.951 . . . . 61.35 111.123 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -139.57 157.3 70.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 73.43 110.932 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CG ' HD11 ' A' ' 10' ' ' ILE . 52.8 Cg_endo -69.73 179.58 3.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.733 2.288 . . . . 72.5 112.294 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -100.87 140.2 35.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 62.54 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.53 ' HB ' HG13 ' A' ' 67' ' ' VAL . 36.3 mm -112.94 143.19 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.114 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -129.38 142.47 50.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 pt -140.56 101.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.104 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.75 -114.75 5.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 43.32 112.479 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -109.01 28.15 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 71.04 110.905 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -124.68 144.76 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 71.44 111.074 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.81 143.54 36.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.55 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG13 ' HB ' ' A' ' 60' ' ' ILE . 7.6 p -145.29 144.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.33 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.11 -72.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.32 112.5 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.9 -147.99 8.38 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.754 -0.736 . . . . 53.22 112.473 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.2 -32.31 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 64.54 110.908 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.81 -48.55 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 71.42 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.11 -43.36 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 43.4 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 25' ' ' LEU . 1.8 tt -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 62.33 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 24' ' ' ALA . 5.3 m-85 -74.45 -40.81 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.896 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.56 85.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 54.33 111.19 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.74 -41.25 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 71.53 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 25' ' ' LEU . 6.4 tm-20 -59.4 -41.34 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 70.3 110.907 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.21 -52.88 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.45 -25.29 66.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.45 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.72 54.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.823 -0.703 . . . . 73.21 112.558 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -129.93 21.48 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.1 110.945 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 ' HD3' ' A' ' 29' ' ' LYS . 2.7 pp -90.08 -35.77 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 52.51 110.908 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -53.99 -48.11 70.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 60.14 110.868 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -25.92 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 74.33 110.849 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 62' ' ' ILE . 5.4 tt -68.06 -35.54 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 60.42 110.822 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.38 -11.8 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.931 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -27.92 16.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 53.24 110.864 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.6 t -150.24 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 74.55 111.228 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.44 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 96.58 85.89 1.77 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.403 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.89 140.51 52.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 71.11 110.863 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.651 HG21 ' O ' ' B' ' 88' ' ' THR . 29.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.821 0.343 . . . . 65.24 111.105 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.23 149.44 7.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 53.42 110.831 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.538 HG22 HG22 ' B' ' 62' ' ' ILE . 60.6 t -84.27 132.91 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.146 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.616 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -130.9 146.27 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 74.35 111.036 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.484 HD11 ' CG ' ' B' ' 58' ' ' PRO . 12.9 tt -126.12 135.74 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.32 111.147 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.89 102.05 14.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.442 HG23 ' OE1' ' B' ' 35' ' ' GLU . 14.7 t -175.71 165.94 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 62.33 111.204 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.662 ' NH2' ' HA ' ' A' ' 16' ' ' CYS . 22.7 mtt85 -69.88 160.79 78.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 73.53 110.883 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.94 37.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 64.41 112.322 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.7 107.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 30.35 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t 164.59 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 C-N-CA 126.253 1.821 . . . . 73.41 113.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.16 -174.98 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 CA-C-N 118.456 0.484 . . . . 61.35 112.325 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -104.09 56.6 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 119.711 -1.868 . . . . 65.32 109.366 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 p -90.83 30.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.062 -0.972 . . . . 63.11 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.51 -25.83 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 34.04 111.156 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 26.2 mtt180 -66.44 -60.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.54 110.89 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.21 60.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.145 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.49 -25.72 57.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.946 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -51.68 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.151 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.563 HD11 ' HG3' ' B' ' 77' ' ' GLU . 14.6 tp -62.75 -42.83 99.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.834 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' B' ' 31' ' ' ALA . 14.0 mt -56.96 -24.18 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.3 110.927 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 53.21 111.098 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.04 -26.89 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 54.03 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.533 ' HD3' HD13 ' B' ' 82' ' ' LEU . 1.3 ptpm? -119.29 15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.889 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.51 28.26 20.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 33.53 112.507 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.78 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -62.79 160.75 13.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 63.23 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -96.92 147.04 24.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.872 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' B' ' 26' ' ' LEU . 12.0 p90 -155.74 153.62 30.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 64.13 110.853 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.39 128.41 48.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 75.22 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.442 ' OE1' HG23 ' B' ' 12' ' ' THR . 8.9 mm-40 -83.79 159.41 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.95 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.616 HD11 HG21 ' B' ' 9' ' ' ILE . 78.3 mt -139.63 108.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 72.04 111.188 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.84 105.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.929 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.43 178.4 6.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 62.4 111.139 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.31 26.34 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.82 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.03 -35.99 3.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.123 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.09 147.52 66.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.534 0.683 . . . . 72.41 111.151 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -16.78 37.85 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 74.55 112.374 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -75.8 -42.21 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.43 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.91 -57.75 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 73.02 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -26.57 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.936 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -50.67 28.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 65.52 111.121 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.47 -29.76 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.851 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.35 -26.2 21.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 54.31 110.903 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.3 69.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.54 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -74.45 -40.69 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 63.53 110.823 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.08 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 62.35 110.841 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -53.03 132.63 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 63.15 110.926 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.89 -75.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 63.14 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.55 154.61 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 73.43 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -112.83 27.3 9.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.932 0.396 . . . . 72.32 110.287 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -42.97 26.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.891 0.376 . . . . 61.35 111.118 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -139.64 157.3 70.36 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.617 0.722 . . . . 73.43 110.87 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.484 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 72.5 112.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -100.89 140.29 35.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 62.54 110.897 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.538 ' HB ' HG13 ' B' ' 67' ' ' VAL . 36.2 mm -112.95 143.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.53 111.131 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.34 142.48 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.538 HG22 HG22 ' B' ' 8' ' ' VAL . 2.4 pt -140.58 101.47 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 72.41 111.055 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.65 -114.62 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 43.32 112.515 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.7 m -109.09 27.99 8.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.917 0.389 . . . . 71.04 110.816 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -124.56 144.84 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 71.44 111.122 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.77 143.5 36.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.896 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.538 HG13 ' HB ' ' B' ' 60' ' ' ILE . 7.5 p -145.37 144.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 54.33 111.113 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.17 -72.55 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 54.32 112.461 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.95 -147.95 8.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 53.22 112.422 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.28 -32.12 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 64.54 110.823 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -55.07 -48.47 73.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.42 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.09 -43.35 15.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 43.4 110.893 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.516 HD21 HD23 ' B' ' 25' ' ' LEU . 1.9 tt -51.69 -35.85 44.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 62.33 110.919 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.477 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 5.3 m-85 -74.44 -40.81 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.879 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.51 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 54.33 111.182 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.73 -41.2 73.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.53 110.961 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.563 ' HG3' HD11 ' B' ' 25' ' ' LEU . 6.4 tm-20 -59.38 -41.43 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 70.3 110.878 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.2 -52.83 62.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.843 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.52 -25.27 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 72.45 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.78 54.75 1.38 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.793 -0.717 . . . . 73.21 112.58 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -130.03 21.53 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.729 0.3 . . . . 74.1 110.867 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.533 HD13 ' HD3' ' B' ' 29' ' ' LYS . 2.7 pp -90.12 -35.77 15.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 52.51 110.898 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -53.9 -48.22 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 60.14 110.83 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -25.93 42.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.838 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.469 ' HG ' HG21 ' B' ' 62' ' ' ILE . 5.5 tt -67.95 -35.48 78.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 60.42 110.99 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.55 -11.62 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.885 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 -27.99 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 53.24 110.893 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.651 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.6 t -150.27 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 74.55 111.199 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.438 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 96.52 85.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.33 112.471 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.85 140.42 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 71.11 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 107.041 -1.466 . . . . 50.23 107.041 -177.49 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.831 0.348 . . . . 74.03 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.34 146.03 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.831 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 62' ' ' ILE . 21.0 t -95.37 150.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.138 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' ILE . 3.4 mp -139.82 152.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.53 111.172 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.732 HD11 ' CG ' ' A' ' 58' ' ' PRO . 14.1 tt -132.49 136.33 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.141 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.492 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.7 m-85 -98.89 99.59 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.95 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.01 175.86 1.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.184 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -61.79 160.82 25.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 63.21 110.842 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.64 -13.66 35.3 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 64.21 112.325 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.1 109.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.659 -0.781 . . . . 74.42 112.454 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.696 ' CA ' HH21 ' B' ' 13' ' ' ARG . 0.1 OUTLIER 174.0 -78.64 0.0 OUTLIER Pre-proline 0 N--CA 1.423 -1.785 0 N-CA-C 104.302 -2.481 . . . . 75.02 104.302 178.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -53.21 175.93 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.383 2.722 . . . . 72.13 112.35 -173.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -86.55 93.57 9.22 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.72 -1.863 . . . . 74.53 107.83 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -131.76 32.82 4.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.084 -1.871 . . . . 75.22 110.822 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -22.69 31.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.2 -49.69 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.81 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.1 111.133 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.04 -25.07 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 65.35 110.896 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.52 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 43.23 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD2' HD21 ' A' ' 73' ' ' LEU . 21.2 tp -53.08 -45.57 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.97 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.724 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.7 mt -58.0 -23.09 52.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.898 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.9 -19.82 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 65.32 111.171 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.25 49.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.912 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 1.1 ptpm? -119.11 15.61 13.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 55.01 110.823 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.82 22.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 70.14 112.454 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -63.01 169.83 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 63.33 111.061 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 159.05 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.824 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.91 151.29 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -134.48 124.73 26.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 70.51 110.918 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.07 156.98 28.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 64.21 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.613 HG22 HD21 ' A' ' 44' ' ' LEU . 24.8 mt -137.23 109.98 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 65.32 111.082 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.17 113.79 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.819 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.57 -179.65 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 62.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.74 23.46 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.796 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.69 9.79 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 51.12 111.05 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.56 148.67 2.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 74.42 111.136 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -11.94 31.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 72.21 112.374 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 63.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.613 HD21 HG22 ' A' ' 36' ' ' ILE . 8.4 mp -62.19 -55.31 29.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.913 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -51.63 -42.41 62.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.925 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.44 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 61.12 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.68 -60.35 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.903 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.8 -26.22 63.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.92 -26.1 66.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.931 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.05 -40.52 61.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.91 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.65 -50.2 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.85 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.47 48.57 14.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.876 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.09 174.67 39.05 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.731 -0.747 . . . . 72.1 112.434 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.52 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 60.11 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.44 44.83 0.62 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.971 0.909 . . . . 54.42 111.997 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p -80.3 -172.12 3.35 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 120.453 -1.405 . . . . 70.52 111.165 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.63 156.91 2.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.747 0.784 . . . . 55.23 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.732 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.77 169.02 19.9 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.634 2.222 . . . . 52.42 112.285 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.59 140.63 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.24 110.9 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mm -107.85 144.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.35 111.148 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.77 106.58 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.863 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.614 HG22 HG22 ' A' ' 8' ' ' VAL . 11.1 pt -116.92 125.82 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.35 111.061 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.89 39.61 62.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 74.31 112.463 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.33 21.78 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 62.32 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.556 ' CG1' HD23 ' A' ' 91' ' ' LEU . 26.3 t -102.54 146.28 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 74.53 111.234 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.92 129.47 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.894 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 69' ' ' GLY . 58.8 t -130.82 131.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.103 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.2 36.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 70.51 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.516 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 145.67 -148.51 20.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 70.31 112.525 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -61.24 -37.4 82.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 73.45 110.862 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.83 -43.02 63.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.94 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.19 -45.2 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 74.05 110.964 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -51.82 -41.86 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.998 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.45 -42.86 70.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 75.23 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.13 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 44.3 111.062 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.7 -44.21 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 72.44 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' HD11 ' A' ' 25' ' ' LEU . 4.0 tm-20 -61.08 -39.64 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.834 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.93 -49.52 72.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 55.34 110.871 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -65.84 -26.82 67.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.888 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.42 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -127.8 23.99 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 71.04 110.75 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.02 -39.57 61.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.332 -0.394 . . . . 75.21 110.922 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.24 -51.11 63.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.3 110.952 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -27.83 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.819 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -67.03 -41.33 86.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.952 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.65 -19.87 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.949 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.11 -24.26 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 64.45 110.852 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.5 p -147.94 -53.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.126 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 104.68 110.46 3.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 62.51 112.529 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -134.46 127.68 31.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 72.02 110.94 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.556 HD23 ' CG1' ' A' ' 65' ' ' VAL . 2.0 pp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.99 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 74.03 111.155 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.39 146.01 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 75.22 110.874 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.609 HG22 HG22 ' B' ' 62' ' ' ILE . 21.2 t -95.31 150.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 75.45 111.097 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.472 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -139.87 152.99 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.53 111.175 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.714 HD11 ' CG ' ' B' ' 58' ' ' PRO . 14.1 tt -132.45 136.28 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 64.21 111.197 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.491 ' CD1' HD12 ' B' ' 36' ' ' ILE . 12.6 m-85 -98.9 99.63 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.936 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.0 175.84 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 63.34 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.696 HH21 ' CA ' ' A' ' 16' ' ' CYS . 34.0 mtt85 -61.8 160.83 25.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 63.21 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -13.67 35.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.285 . . . . 64.21 112.4 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.14 108.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.652 -0.785 . . . . 74.42 112.431 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.612 ' HB2' ' HD3' ' B' ' 17' ' ' PRO . 93.5 m 172.72 -58.19 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 O-C-N 119.536 -2.155 . . . . 75.02 109.081 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.79 176.16 7.94 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.676 1.584 . . . . 72.13 112.39 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -78.34 88.23 4.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.147 0.498 . . . . 74.53 111.214 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.92 32.91 3.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.828 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -22.6 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.113 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -63.23 -49.71 73.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.821 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.85 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.1 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.06 -24.98 66.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 65.35 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.55 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 43.23 111.135 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.488 HD23 HD21 ' B' ' 73' ' ' LEU . 20.8 tp -53.04 -45.67 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 70.44 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' B' ' 31' ' ' ALA . 13.6 mt -58.0 -23.04 52.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.911 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.94 -19.85 24.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 65.32 111.152 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -27.2 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.912 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 1.1 ptpm? -119.12 15.58 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 55.01 110.885 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.92 22.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 70.14 112.439 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.734 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -63.06 169.85 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 63.33 111.104 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.33 159.02 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -169.9 151.3 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -134.5 124.69 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 70.51 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.02 156.93 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.21 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.644 HG22 HD21 ' B' ' 44' ' ' LEU . 24.7 mt -137.15 110.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 65.32 111.133 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.15 113.82 6.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.807 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.61 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 62.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.63 23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.836 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.66 9.8 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 51.12 111.077 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.57 148.67 2.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 74.42 111.152 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.95 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.289 . . . . 72.21 112.319 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.92 -55.82 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 63.31 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.644 HD21 HG22 ' B' ' 36' ' ' ILE . 8.4 mp -62.17 -55.24 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 71.21 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -51.7 -42.43 62.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.904 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.4 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.12 111.117 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.72 -60.36 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.76 -26.3 63.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 72.43 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.85 -26.11 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.3 110.889 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.56 -50.33 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.846 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.54 48.55 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.54 39.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 72.1 112.462 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.39 -172.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 60.11 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -85.1 54.8 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.262 -1.524 . . . . 54.42 111.592 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -80.73 -172.05 3.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.653 -1.158 . . . . 70.52 111.184 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.7 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.732 0.777 . . . . 55.23 110.811 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.714 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.6 Cg_endo -69.68 168.97 19.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 52.42 112.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.57 140.61 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.82 144.23 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 75.35 111.23 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.69 106.53 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.609 HG22 HG22 ' B' ' 8' ' ' VAL . 11.2 pt -116.88 125.85 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.35 111.086 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.85 39.67 62.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.31 112.442 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.34 21.72 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 62.32 110.832 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.542 ' CG1' HD23 ' B' ' 91' ' ' LEU . 26.7 t -102.5 146.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 74.53 111.137 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.97 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.502 HG12 ' H ' ' B' ' 69' ' ' GLY . 59.0 t -130.77 131.42 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.175 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.09 36.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 70.51 112.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.502 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 145.63 -148.48 20.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.573 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 96.7 p -61.23 -37.46 83.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.367 . . . . 73.45 110.857 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.76 -43.09 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.874 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.25 -45.22 11.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.877 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.488 HD21 HD23 ' B' ' 25' ' ' LEU . 1.1 tt -51.73 -41.9 61.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.48 -42.86 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.11 69.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 44.3 111.082 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.63 -44.28 94.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.479 ' HG3' HD11 ' B' ' 25' ' ' LEU . 4.0 tm-20 -61.04 -39.63 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.86 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.06 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 55.34 110.765 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -65.78 -26.83 67.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.956 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.48 2.01 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.83 -0.7 . . . . 64.11 112.503 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -127.78 23.87 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 71.04 110.798 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.06 -39.42 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.21 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.31 -51.22 63.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 73.3 110.897 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -27.84 65.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' B' ' 62' ' ' ILE . 0.7 OUTLIER -66.99 -41.39 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 64.22 110.972 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.63 -19.88 25.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.16 -24.13 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.874 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 68.6 p -148.0 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 63.03 111.168 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.455 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 104.71 110.48 3.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 62.51 112.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' B' ' 92' ' ' ILE . 16.7 tppt? -134.47 127.57 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 72.02 110.933 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.542 HD23 ' CG1' ' B' ' 65' ' ' VAL . 2.0 pp -61.36 -30.19 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 72.11 110.894 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.408 ' H ' ' HG3' ' B' ' 90' ' ' LYS . 18.7 tt . . . . . 0 N--CA 1.489 1.486 0 O-C-N 116.82 -3.675 . . . . 73.3 117.111 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 54.22 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -153.69 136.72 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.828 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.52 138.74 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.14 111.119 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.652 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.5 mp -139.44 150.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 53.35 111.143 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' CE ' ' A' ' 23' ' ' LYS . 20.8 tt -137.63 136.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.105 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CD1' HD12 ' A' ' 36' ' ' ILE . 10.5 m-85 -90.86 116.03 28.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.631 HG21 ' SG ' ' A' ' 19' ' ' CYS . 2.3 t 179.75 158.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 64.34 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.47 160.64 81.91 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 72.03 110.884 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 78.47 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.576 2.184 . . . . 64.54 112.422 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 101.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 24.24 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.624 ' HB3' ' CZ ' ' B' ' 13' ' ' ARG . 0.5 OUTLIER 167.58 -48.98 0.0 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 118.319 2.711 . . . . 74.44 118.319 178.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD3' ' SG ' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -72.77 -168.81 0.43 Allowed 'Trans proline' 0 C--N 1.332 -0.313 0 C-N-CA 120.56 0.84 . . . . 71.34 112.35 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -90.57 63.42 5.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.39 1.091 . . . . 75.3 109.812 -174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.631 ' SG ' HG21 ' A' ' 12' ' ' THR . 7.4 t -109.22 32.99 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.137 -0.938 . . . . 74.12 110.857 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -90.21 -23.04 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 61.22 111.061 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -77.81 -57.13 3.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.42 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 64.55 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' HG21 ' A' ' 10' ' ' ILE . 7.7 mmtp -66.46 -36.64 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.839 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -51.66 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.21 111.123 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.711 HD11 ' HG3' ' A' ' 77' ' ' GLU . 16.7 tp -56.74 -48.04 78.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.32 110.877 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.6 mt -55.94 -25.52 43.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.936 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -22.76 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.159 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.9 -28.04 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.946 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 13.4 ptpt -111.93 14.25 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.31 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.97 28.01 23.49 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.62 -0.8 . . . . 72.42 112.512 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -71.13 156.27 39.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 60.42 111.137 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.93 146.63 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 73.34 110.865 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.04 152.94 30.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -128.16 128.82 45.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.22 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.76 160.09 24.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.652 HD11 ' CG2' ' A' ' 9' ' ' ILE . 53.3 mt -136.89 123.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 71.14 111.094 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.01 105.13 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.803 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.24 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.37 23.54 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.86 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.56 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 73.43 111.054 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.424 HG23 HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -141.13 154.6 68.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 74.43 111.131 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.651 2.234 . . . . 61.04 112.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.26 -44.56 83.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.876 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.0 mm? -88.06 -47.93 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.931 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.95 -30.22 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.796 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.2 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.064 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -64.75 -44.15 91.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 53.2 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.07 -26.1 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.3 110.854 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -63.24 -26.07 68.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 61.25 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.17 -40.94 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.55 10.16 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.962 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 t -52.96 112.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 71.13 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.99 -56.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 65.15 112.529 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -133.34 139.44 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 75.34 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -125.02 36.47 4.59 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 117.218 -3.427 . . . . 75.24 107.711 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -71.49 -51.06 25.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.24 -1.345 . . . . 74.13 111.133 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.21 157.62 55.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 62.53 110.923 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 175.82 7.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 75.32 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.32 124.49 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 62.44 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.1 mm -89.94 150.17 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 63.04 111.22 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -139.48 140.89 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 65.52 110.935 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' C ' ' A' ' 89' ' ' GLY . 1.2 pt -147.06 115.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.089 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.43 -116.89 6.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 73.02 112.529 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.32 25.84 11.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 72.41 110.815 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.0 t -113.03 143.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 65.42 111.142 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -109.97 116.67 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.891 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -140.77 89.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 65.14 111.083 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.04 112.447 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.67 111.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 42.51 112.513 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -53.4 -30.57 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 55.04 110.818 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -74.39 -32.18 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.916 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -67.96 -36.81 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.807 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.95 -38.32 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 63.52 110.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.56 -34.77 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.3 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 62.04 111.057 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.3 -41.33 84.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.711 ' HG3' HD11 ' A' ' 25' ' ' LEU . 3.2 tm-20 -62.03 -40.01 94.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.893 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.39 -54.86 26.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.777 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.08 -26.26 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.848 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.01 48.35 2.09 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.819 -0.705 . . . . 61.3 112.466 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.45 25.81 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 73.01 110.982 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.09 -35.75 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.3 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.8 -49.67 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 72.42 110.894 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.88 -26.22 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.815 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.78 -47.56 74.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.972 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.83 60.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.822 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.12 -37.22 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.936 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.71 -41.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 75.34 111.168 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.477 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 109.45 111.27 3.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 71.24 112.521 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.73 147.01 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 72.23 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 74.43 110.923 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.826 0.346 . . . . 54.22 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.65 136.69 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.34 110.878 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -87.37 138.76 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 64.14 111.16 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.645 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.5 mp -139.46 150.77 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 53.35 111.131 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.429 HG21 ' CE ' ' B' ' 23' ' ' LYS . 20.7 tt -137.67 136.76 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.145 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' B' ' 36' ' ' ILE . 10.4 m-85 -90.9 116.1 28.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.865 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.636 HG21 ' SG ' ' B' ' 19' ' ' CYS . 2.3 t 179.65 158.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 64.34 111.194 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.28 160.63 82.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 72.03 110.807 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.47 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.581 2.188 . . . . 64.54 112.434 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.4 105.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.728 -0.749 . . . . 24.24 112.515 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.323 7.7 p 156.37 -37.59 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 C-N-CA 129.367 3.067 . . . . 74.44 117.133 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.87 -174.11 0.87 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 116.69 -1.74 . . . . 71.34 112.353 168.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -79.01 66.84 4.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.234 1.016 . . . . 75.3 111.705 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.636 ' SG ' HG21 ' B' ' 12' ' ' THR . 7.4 t -114.57 32.95 5.62 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.484 -0.76 . . . . 74.12 110.856 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' B' ' 24' ' ' ALA . . . -90.08 -23.06 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.22 111.107 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -77.88 -56.99 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.943 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -46.39 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 64.55 111.103 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.429 ' CE ' HG21 ' B' ' 10' ' ' ILE . 7.7 mmtp -66.41 -36.61 83.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 71.25 110.915 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -51.71 -59.79 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.067 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.716 HD11 ' HG3' ' B' ' 77' ' ' GLU . 16.7 tp -56.81 -47.89 79.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.918 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' B' ' 31' ' ' ALA . 13.6 mt -55.96 -25.54 44.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.928 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.77 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.2 111.157 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.86 -28.1 58.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 62.14 110.91 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 13.4 ptpt -111.88 14.2 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.828 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 28.13 23.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 72.42 112.527 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.501 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -71.15 156.26 39.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 60.42 111.168 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -93.93 146.58 23.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.814 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.05 153.02 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.857 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -128.1 128.88 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 70.22 110.92 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.83 160.07 24.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 75.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.645 HD11 ' CG2' ' B' ' 9' ' ' ILE . 53.8 mt -136.93 123.96 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 71.14 111.117 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.96 105.09 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.26 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.067 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.39 23.46 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.9 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.05 -35.48 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.071 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.42 HG23 HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -141.09 154.6 68.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 74.43 111.144 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -8.14 22.85 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.772 2.314 . . . . 61.04 112.355 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.3 -44.48 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 44' ' ' LEU . 2.0 mm? -88.17 -47.85 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.937 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -52.07 -30.18 24.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 71.02 110.776 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 71.34 111.17 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.78 -44.26 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.2 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.01 -26.06 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 73.3 110.938 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -63.26 -26.09 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 61.25 110.982 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.11 -40.92 19.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 63.32 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.56 10.18 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -52.96 112.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 71.13 110.834 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.02 -56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 65.15 112.463 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -133.27 141.01 47.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.367 . . . . 75.34 110.864 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -113.21 16.1 19.22 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 125.135 1.522 . . . . 75.24 111.468 -174.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -77.22 -51.0 11.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.168 -172.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.22 157.7 55.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 62.53 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.88 175.79 7.73 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.716 2.277 . . . . 75.32 112.272 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.25 124.48 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 62.44 110.95 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.9 150.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 63.04 111.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -139.5 140.91 37.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 65.52 110.999 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.48 HD12 ' C ' ' B' ' 89' ' ' GLY . 1.2 pt -147.14 115.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.114 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.35 -116.85 6.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 73.02 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.28 25.87 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 72.41 110.8 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.94 143.54 22.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.42 111.166 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -110.12 116.64 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -140.72 89.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.492 . . . . 65.14 111.093 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.71 81.63 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 73.04 112.448 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.68 111.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.85 -0.69 . . . . 42.51 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 62.0 p -53.35 -30.56 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 55.04 110.825 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.42 -32.14 62.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.96 -36.87 80.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 74.11 110.751 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.99 -38.31 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 63.52 110.911 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.54 -34.75 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.25 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 62.04 111.111 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.38 -41.29 84.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.892 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.716 ' HG3' HD11 ' B' ' 25' ' ' LEU . 3.2 tm-20 -62.01 -40.07 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.924 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.31 -54.88 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.843 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.13 -26.12 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.854 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.91 48.37 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.802 -0.713 . . . . 61.3 112.534 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.52 25.86 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 73.01 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.12 -35.79 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 62.3 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.73 -49.74 61.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.86 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.82 -26.28 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.815 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.68 -47.68 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.7 60.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 71.21 110.906 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -37.26 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.864 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.69 -41.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 111.12 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.48 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 109.44 111.18 3.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 71.24 112.497 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 72.23 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.406 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.4 OUTLIER -87.98 -31.76 19.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 74.43 110.948 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.255 1.372 0 N-CA-C 105.189 -2.152 . . . . 75.3 105.189 -171.527 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 73.24 111.135 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -128.77 147.56 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 53.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.419 HG22 HG23 ' A' ' 62' ' ' ILE . 18.5 t -87.75 130.99 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.123 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 36' ' ' ILE . 3.6 mp -127.62 151.03 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 62.25 111.121 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.66 137.44 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 72.02 111.141 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.72 107.58 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 74.15 110.935 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.648 HG21 ' SG ' ' A' ' 19' ' ' CYS . 14.7 t -175.68 160.57 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.14 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -78.92 161.94 66.75 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 107.53 -1.285 . . . . 74.1 107.53 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.01 -8.96 25.03 Favored 'Trans proline' 0 C--N 1.355 0.899 1 C-N-CA 128.481 6.121 . . . . 50.41 112.412 -176.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.58 105.63 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.656 -0.783 . . . . 73.54 112.528 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 159.49 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.77 0 C-N-CA 129.087 2.955 . . . . 51.02 115.946 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.3 178.26 4.46 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 116.785 -1.677 . . . . 75.42 112.383 172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -89.73 63.19 6.06 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.947 -1.096 . . . . 64.14 112.159 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.648 ' SG ' HG21 ' A' ' 12' ' ' THR . 7.7 t -91.63 36.65 0.95 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.055 -1.028 . . . . 50.12 110.975 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -90.0 -24.63 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 72.04 111.067 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.52 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 55.45 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -60.54 -37.59 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 63.33 111.071 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.76 -24.68 41.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 74.53 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -54.68 -53.82 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 60.13 111.185 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.659 HD22 HD21 ' A' ' 73' ' ' LEU . 2.2 tt -70.37 -48.18 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 25' ' ' LEU . 15.9 mt -51.79 -42.18 62.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 51.53 110.923 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.09 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.32 111.15 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.42 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 64.31 110.923 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.606 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.4 mtmp? -107.01 -16.01 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 74.51 110.843 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.06 79.04 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.748 -0.739 . . . . 72.13 112.467 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.25 156.69 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 70.2 111.132 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -93.94 125.22 38.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.913 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.33 152.6 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 65.43 110.959 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -127.58 128.43 45.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.94 156.83 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 71.45 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 9' ' ' ILE . 72.1 mt -139.04 139.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 74.12 111.203 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.96 95.27 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.8 180.0 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.986 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.3 21.24 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.854 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.39 -4.6 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 64.3 111.122 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.433 HG23 HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -174.03 152.14 1.85 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 22.41 111.209 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.68 -8.12 22.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 74.42 112.38 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -47.35 76.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.42 . . . . 71.4 110.82 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -86.17 -47.03 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.883 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.45 -30.07 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -57.17 -56.08 26.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 25.13 111.043 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.75 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.904 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.1 ttm -63.25 -25.43 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 61.02 110.858 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.59 -25.7 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 64.53 110.903 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.61 -54.06 46.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.892 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.46 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 p 58.73 26.35 14.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.87 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.33 -142.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 74.34 112.441 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.25 158.09 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 72.13 110.818 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.39 20.97 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.539 0.685 . . . . 62.32 110.521 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 p -69.33 -34.83 75.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.433 -0.792 . . . . 60.24 111.159 -177.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -128.86 157.38 75.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 70.33 110.983 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.0 29.0 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 72.14 112.296 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -90.2 123.87 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.63 144.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.31 111.076 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 147.01 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.742 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.3 mt -145.39 118.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 60.44 111.122 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.38 -99.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 22.52 112.487 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.89 32.26 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 71.01 110.761 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 62' ' ' ILE . 7.1 p -116.45 150.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.7 128.47 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -131.53 124.32 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 53.24 111.129 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.6 -83.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 51.42 112.487 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.58 12.41 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.725 -0.75 . . . . 70.34 112.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -52.36 -30.17 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 41.31 110.932 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.02 -41.47 62.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.32 110.801 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.34 -46.41 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.659 HD21 HD22 ' A' ' 25' ' ' LEU . 1.9 tt -52.07 -40.43 61.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.942 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -70.92 -40.9 71.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.77 69.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.54 111.034 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.07 -41.8 88.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.952 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' CD ' HD12 ' A' ' 25' ' ' LEU . 35.8 tt0 -57.53 -30.2 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.844 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -50.01 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 62.34 110.919 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.24 -26.76 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 71.22 110.895 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.07 46.17 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.527 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.88 28.85 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 74.31 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.8 pp -87.85 -37.95 16.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 53.21 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.2 t0 -54.74 -57.24 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.896 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -68.54 -20.43 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.1 tt -73.72 -49.09 27.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 62.12 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.4 pp -74.93 -16.33 60.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -40.22 11.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 62.41 110.986 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.63 -46.86 1.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.098 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.01 108.89 2.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 75.34 112.434 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -142.42 149.47 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 51.14 110.905 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 53.13 110.954 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.773 0.32 . . . . 73.24 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -128.76 147.55 50.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.422 HG22 HG23 ' B' ' 62' ' ' ILE . 18.6 t -87.77 131.0 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.421 HG21 HD11 ' B' ' 36' ' ' ILE . 3.6 mp -127.56 150.99 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 62.25 111.19 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.61 137.4 35.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 72.02 111.166 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.81 107.61 19.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.892 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.638 HG21 ' SG ' ' B' ' 19' ' ' CYS . 14.7 t -175.67 164.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.135 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.55 159.7 60.68 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 106.791 -1.559 . . . . 74.1 106.791 -175.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.4 -8.73 22.99 Favored 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 127.634 5.556 . . . . 50.41 112.369 -175.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.54 106.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 73.54 112.475 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 t 159.67 -49.58 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 C-N-CA 127.616 2.366 . . . . 51.02 116.008 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.13 179.07 2.08 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 116.54 -1.84 . . . . 75.42 112.371 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.39 76.75 5.16 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.186 -1.413 . . . . 64.14 107.186 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.638 ' SG ' HG21 ' B' ' 12' ' ' THR . 7.8 t -103.06 36.7 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.601 . . . . 50.12 110.934 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' B' ' 24' ' ' ALA . . . -89.96 -24.6 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.04 111.146 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.54 -53.23 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 55.45 110.861 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.417 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -60.45 -37.64 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 63.33 111.15 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.75 -24.73 41.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -54.64 -53.77 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 60.13 111.153 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.664 HD22 HD21 ' B' ' 73' ' ' LEU . 2.2 tt -70.44 -48.23 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.874 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.487 ' N ' HD23 ' B' ' 25' ' ' LEU . 15.8 mt -51.83 -42.2 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 51.53 110.844 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.64 -33.94 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 73.32 111.179 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -25.48 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.31 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.599 ' HD2' HD13 ' B' ' 82' ' ' LEU . 4.4 mtmp? -106.95 -16.09 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.32 11.02 79.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 72.13 112.486 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.21 156.72 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 70.2 111.069 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -94.01 125.23 38.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.868 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.32 152.65 48.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 65.43 110.892 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.6 128.47 45.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.93 156.78 19.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.421 HD11 HG21 ' B' ' 9' ' ' ILE . 72.2 mt -139.02 139.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.166 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.98 95.24 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.858 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.73 179.97 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.54 111.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.28 21.35 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.848 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.403 ' C ' HG22 ' B' ' 41' ' ' THR . . . -123.44 -4.58 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.3 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.432 HG23 HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -174.0 152.18 1.87 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 22.41 111.175 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' B' ' 46' ' ' ALA . 54.4 Cg_endo -69.66 -8.26 23.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 74.42 112.389 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -47.53 76.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.804 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 44' ' ' LEU . 2.1 mm? -86.13 -47.09 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.906 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.43 -30.01 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -57.26 -56.02 27.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 25.13 111.057 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.81 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.19 -25.45 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 61.02 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.57 -25.7 67.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.53 110.949 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.56 -54.2 44.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.867 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.43 -59.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.89 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.2 p 58.62 26.48 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.835 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.4 -142.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.663 -0.779 . . . . 74.34 112.384 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -56.15 158.75 3.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 72.13 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -125.17 19.26 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.321 -0.854 . . . . 62.32 111.5 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 4.5 p -68.91 -34.71 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.953 -0.467 . . . . 60.24 111.155 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -129.0 157.39 75.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 70.33 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 166.08 28.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.273 . . . . 72.14 112.33 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -90.29 123.83 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 51.41 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.9 mm -95.63 144.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.088 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 146.94 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.765 ' O ' HG12 ' B' ' 65' ' ' VAL . 9.1 mt -145.26 118.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 60.44 111.242 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.29 -99.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 22.52 112.543 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.83 32.2 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 71.01 110.759 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.765 HG12 ' O ' ' B' ' 62' ' ' ILE . 7.0 p -116.5 150.02 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 75.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.8 128.41 45.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.768 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -131.44 124.34 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.58 -83.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 51.42 112.533 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.57 12.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.442 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -52.37 -30.27 28.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 41.31 110.891 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.96 -41.42 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 72.32 110.801 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.43 -46.41 10.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 65.25 110.835 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.664 HD21 HD22 ' B' ' 25' ' ' LEU . 1.9 tt -52.11 -40.44 61.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.927 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -70.85 -40.96 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.912 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.66 69.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 75.54 111.09 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.11 -41.83 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.937 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.426 ' CD ' HD12 ' B' ' 25' ' ' LEU . 35.7 tt0 -57.54 -30.12 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.864 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.49 -50.16 13.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 62.34 110.821 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -62.15 -26.8 68.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.891 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.01 46.25 2.9 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.7 -0.762 . . . . 74.3 112.512 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.92 28.85 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.599 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.8 pp -87.8 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 53.21 110.959 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.446 ' N ' HD12 ' B' ' 82' ' ' LEU . 2.1 t0 -54.77 -57.27 12.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.91 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -68.52 -20.45 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 61.42 110.803 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.449 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.1 tt -73.71 -49.05 27.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 62.12 110.871 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.449 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.4 pp -75.01 -16.24 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.2 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 62.41 110.912 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -128.56 -46.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.423 . . . . 71.23 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.94 108.93 2.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.481 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -142.47 149.53 39.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 51.14 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.558 ' H ' HD23 ' B' ' 91' ' ' LEU . 1.0 OUTLIER -90.56 -23.61 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 53.13 110.983 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--O 1.248 0.977 0 N-CA-C 106.015 -1.846 . . . . 64.45 106.015 -172.714 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.869 0.366 . . . . 74.1 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.09 152.09 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.551 HG22 HG22 ' A' ' 62' ' ' ILE . 22.9 t -90.2 136.17 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.089 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.44 136.73 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 52.02 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.508 HG21 ' CE ' ' A' ' 23' ' ' LYS . 13.7 tt -124.24 135.71 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 73.32 111.15 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.83 101.07 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.59 148.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 73.11 111.122 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.6 159.95 1.53 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 74.15 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 79.93 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.701 2.268 . . . . 54.21 112.37 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.83 100.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 52.02 112.505 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.546 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 m 179.94 -55.96 0.0 OUTLIER Pre-proline 0 CA--C 1.586 2.358 0 O-C-N 116.961 -3.67 . . . . 63.0 105.823 -159.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 16' ' ' CYS . 53.1 Cg_endo -95.63 -172.66 0.24 Allowed 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 132.933 9.089 . . . . 62.13 112.393 -177.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -79.82 54.07 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.553 0.692 . . . . 75.54 111.959 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.99 29.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.06 -1.025 . . . . 75.03 110.881 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.59 -26.09 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.09 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -62.43 -58.74 6.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.56 73.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 54.23 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' CE ' HG21 ' A' ' 10' ' ' ILE . 18.2 mmtp -60.56 -44.71 95.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 61.12 110.916 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.27 9.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 63.04 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.029 HD22 HD21 ' A' ' 73' ' ' LEU . 3.3 tt -57.13 -44.8 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 50.32 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 31' ' ' ALA . 7.4 mt -55.71 -28.47 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.928 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.78 -23.36 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 74.35 111.17 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.41 -25.08 59.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 65.23 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HD2' HD13 ' A' ' 82' ' ' LEU . 6.4 ptmt -112.86 11.3 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.819 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.02 50.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 51.43 112.45 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.573 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -84.43 155.23 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 73.11 111.066 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.78 122.11 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.2 110.889 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -125.26 153.81 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.893 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.72 119.04 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.3 154.95 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 64.3 110.79 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.573 HG21 HD11 ' A' ' 44' ' ' LEU . 61.3 mt -137.9 143.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.096 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.29 89.96 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 64.42 110.804 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.86 178.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 54.12 111.111 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 t 63.09 17.02 9.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.865 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.54 -10.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -164.7 154.4 11.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 62.52 111.172 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.75 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.654 2.236 . . . . 74.41 112.285 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.1 -49.18 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 65.33 110.967 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.573 HD11 HG21 ' A' ' 36' ' ' ILE . 4.0 mm? -60.89 -57.26 13.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.873 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -25.71 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.55 110.889 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -69.58 -41.6 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.41 111.06 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.42 -36.0 71.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 74.02 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.8 mtm -78.94 -27.57 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.15 110.905 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.51 -26.85 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 65.25 110.911 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.11 -43.2 63.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -107.02 -59.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.44 110.926 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.63 50.99 10.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 70.41 110.945 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -153.74 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 53.34 112.518 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -57.72 176.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 72.24 110.791 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' B' ' 18' ' ' TYR . 23.6 m120 -129.17 27.74 5.34 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.222 -1.549 . . . . 75.22 110.372 177.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.71 -45.62 35.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 61.1 111.148 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.86 157.39 71.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.658 0.742 . . . . 71.44 110.905 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.8 174.66 9.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 61.2 112.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.98 128.16 45.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.48 HD13 HG13 ' A' ' 10' ' ' ILE . 42.0 mm -101.57 144.9 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 60.44 111.146 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.06 124.31 21.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.04 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.682 HD13 HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -129.65 99.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 64.31 111.116 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.97 52.44 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.5 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.3 m 59.33 21.27 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 74.2 110.789 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.71 143.56 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.064 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.56 120.43 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 42.22 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.8 128.7 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.14 111.232 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.54 -43.82 36.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.719 . . . . 44.34 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.01 -158.23 27.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.21 112.503 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.86 -34.54 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 65.15 110.889 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.91 -46.97 64.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.4 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.7 -45.18 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 53.44 110.81 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.029 HD21 HD22 ' A' ' 25' ' ' LEU . 5.0 tt -51.51 -42.19 61.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 51.42 110.92 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -67.08 -42.28 84.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.42 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 70.55 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -56.11 -46.07 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 45.43 110.902 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.42 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 62.31 110.876 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.87 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 65.35 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.97 -30.1 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.29 51.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 72.2 112.515 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -129.96 23.93 5.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.849 0.357 . . . . 71.22 110.965 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 ' HD2' ' A' ' 29' ' ' LYS . 2.9 pp -83.4 -32.46 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.959 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.09 -49.72 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.786 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.95 -25.97 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.825 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.682 HD12 HD13 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -65.49 -45.23 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.982 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 -9.96 59.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 70.33 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -33.74 14.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 75.45 110.889 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.09 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 65.11 111.162 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.612 ' CA ' HD12 ' A' ' 62' ' ' ILE . . . 96.7 106.85 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 75.44 112.449 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.28 131.91 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 50.44 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 61.34 110.886 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.861 0.362 . . . . 74.1 111.123 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.06 152.07 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 71.3 110.862 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.56 HG22 HG22 ' B' ' 62' ' ' ILE . 23.4 t -90.26 136.2 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.3 111.097 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.42 136.74 54.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.02 111.079 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.501 HG21 ' CE ' ' B' ' 23' ' ' LYS . 13.7 tt -124.27 135.67 62.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.32 111.157 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -92.84 101.16 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.62 148.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -52.66 159.91 1.57 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 74.15 110.858 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 79.81 0.91 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.748 2.299 . . . . 54.21 112.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 52.02 112.506 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m 158.23 -46.11 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 129.081 2.952 . . . . 63.0 115.515 172.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.21 -169.03 0.18 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 116.142 -2.105 . . . . 62.13 112.34 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 55' ' ' ASN . 16.5 m-85 -91.06 59.96 4.18 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 120.687 -1.258 . . . . 75.54 108.269 -175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.87 29.82 7.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.834 -1.075 . . . . 75.03 110.9 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.53 -26.12 28.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 53.24 111.187 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 65.2 mmt-85 -62.37 -58.84 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.847 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -47.57 73.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 54.23 111.037 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.501 ' CE ' HG21 ' B' ' 10' ' ' ILE . 18.3 mmtp -60.62 -44.75 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 61.12 110.866 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 -57.19 10.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 63.04 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 1.055 HD22 HD21 ' B' ' 73' ' ' LEU . 3.3 tt -57.24 -44.72 84.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 50.32 110.96 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 31' ' ' ALA . 7.4 mt -55.74 -28.44 55.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.917 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 -23.36 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.11 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.43 -25.12 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 65.23 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.628 ' HD2' HD13 ' B' ' 82' ' ' LEU . 6.4 ptmt -112.83 11.24 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.863 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.05 50.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.494 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.556 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -84.49 155.29 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.676 0.274 . . . . 73.11 111.124 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.87 122.11 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -125.26 153.72 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.897 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.66 119.04 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.877 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -83.3 154.97 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 64.3 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.578 HG21 HD11 ' B' ' 44' ' ' LEU . 61.3 mt -137.9 143.53 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 74.42 111.149 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.36 90.03 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 178.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 54.12 111.072 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t 63.16 16.99 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.868 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.56 -10.17 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.42 111.173 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.527 HG23 HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -164.71 154.34 11.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 62.52 111.111 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' B' ' 46' ' ' ALA . 53.9 Cg_endo -69.72 -7.95 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 74.41 112.368 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.24 -49.13 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.33 110.895 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.578 HD11 HG21 ' B' ' 36' ' ' ILE . 4.0 mm? -60.89 -57.32 13.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 73.13 110.896 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -25.81 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.854 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -69.6 -41.59 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 71.41 111.011 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.43 -35.92 71.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -79.0 -27.6 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 65.15 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.43 -26.92 68.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.99 -43.25 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.955 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -107.0 -60.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 75.44 110.896 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.68 51.07 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 70.41 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.39 -153.79 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 53.34 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -57.65 174.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.802 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -126.22 26.0 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.633 -1.292 . . . . 75.22 110.49 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.77 -45.62 35.28 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.047 -0.408 . . . . 61.1 111.164 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.8 157.44 71.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.71 0.767 . . . . 71.44 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.47 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.6 Cg_endo -69.84 174.64 9.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.709 2.273 . . . . 61.2 112.345 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.9 128.16 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.469 HD13 HG13 ' B' ' 10' ' ' ILE . 41.7 mm -101.55 144.96 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 60.44 111.12 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.17 124.33 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.674 HD13 HD12 ' B' ' 85' ' ' LEU . 1.0 OUTLIER -129.62 99.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 64.31 111.125 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.99 52.47 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 71.45 112.454 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m 59.27 21.29 9.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.953 0.406 . . . . 74.2 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.71 143.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 72.44 111.068 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.57 120.48 29.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 42.22 110.833 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.91 128.74 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.119 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.53 -43.8 36.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 44.34 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.02 -158.23 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 73.21 112.487 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.95 -34.47 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.15 110.891 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.92 -47.03 64.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 74.4 110.813 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -83.73 -45.06 13.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 53.44 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 1.055 HD21 HD22 ' B' ' 25' ' ' LEU . 5.0 tt -51.66 -42.02 61.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 51.42 110.891 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.24 -42.17 84.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.932 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.43 74.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 70.55 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 45.43 110.951 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.39 -36.75 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.865 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.82 -53.5 56.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.847 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.0 -30.01 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.912 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.24 51.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 72.2 112.462 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -130.02 23.95 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 71.22 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.628 HD13 ' HD2' ' B' ' 29' ' ' LYS . 2.8 pp -83.33 -32.41 26.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.969 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.11 -49.7 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.767 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.87 -26.0 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.674 HD12 HD13 ' B' ' 62' ' ' ILE . 0.8 OUTLIER -65.45 -45.35 84.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.86 -10.01 59.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 70.33 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -33.75 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.876 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.08 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.606 ' CA ' HD12 ' B' ' 62' ' ' ILE . . . 96.65 106.9 2.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.827 -0.701 . . . . 75.44 112.43 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.2 131.93 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 50.44 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.511 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.6 OUTLIER -79.85 -27.39 40.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 61.34 110.865 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.48 1.064 0 O-C-N 118.471 -2.643 . . . . 74.35 112.188 166.126 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 71.54 111.101 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.97 137.49 51.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.854 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.53 147.62 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.127 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.95 150.12 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 65.42 111.098 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.01 135.84 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 65.24 111.224 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CE1' HD12 ' A' ' 36' ' ' ILE . 12.3 m-85 -93.27 108.2 19.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.901 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.78 166.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 74.11 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.21 159.51 84.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 74.32 110.91 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 79.1 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 75.01 112.385 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.52 109.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 63.45 112.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 156.01 -42.27 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.945 0 C-N-CA 128.878 2.871 . . . . 71.33 116.986 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.95 -175.23 0.74 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 115.872 -2.285 . . . . 74.44 112.309 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.15 56.67 3.84 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.848 -1.158 . . . . 64.32 110.874 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.86 -7.33 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.146 -0.971 . . . . 65.24 110.856 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.46 -30.05 18.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 51.03 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -61.25 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 71.24 110.947 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.23 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.157 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.52 -46.44 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.79 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 63.43 111.126 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.7 tp -51.99 -54.05 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 62.33 110.859 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.572 HD13 ' CG ' ' A' ' 33' ' ' PHE . 11.3 mt -55.23 -38.0 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.869 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.85 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 45.31 111.136 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -46.4 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.895 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HZ2' HD23 ' A' ' 86' ' ' LEU . 13.9 mtmt -81.96 0.28 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.89 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.74 15.95 49.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.1 112.475 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.84 168.9 7.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.77 0.319 . . . . 53.44 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.08 140.53 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.918 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CG ' HD13 ' A' ' 26' ' ' LEU . 14.1 p90 -143.87 157.69 44.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.68 129.37 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 35.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.7 153.38 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' CE1' ' A' ' 11' ' ' TYR . 68.9 mt -129.45 113.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 50.41 111.147 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.18 105.82 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.858 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.31 178.04 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.69 28.93 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.899 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.54 -39.33 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.3 111.013 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.76 147.45 62.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 74.31 111.131 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.98 37.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 72.0 112.374 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.08 -27.37 42.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 mt -82.06 -59.55 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 62.42 110.921 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.65 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.81 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.29 95.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 41.12 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.74 -50.99 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.869 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -68.98 -25.97 64.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 65.32 111.022 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.93 -26.0 64.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.966 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.07 -57.99 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.825 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -28.41 17.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.795 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p 51.94 37.91 22.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.61 174.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 73.23 112.417 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -53.68 174.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 74.43 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -113.47 17.19 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.572 -1.194 . . . . 52.51 111.273 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -84.91 -38.85 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.93 -0.481 . . . . 72.34 111.257 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.15 157.3 77.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.667 0.746 . . . . 74.33 110.799 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.25 4.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 72.2 112.381 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.79 132.68 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 65.42 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -102.93 144.24 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.63 127.88 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.841 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 90' ' ' LYS . 4.3 pt -130.66 108.25 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.142 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.31 -118.58 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 53.11 112.511 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.09 31.55 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 72.32 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.87 HG13 HD23 ' A' ' 91' ' ' LEU . 39.7 t -127.8 131.61 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.35 111.142 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -85.75 151.34 23.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.1 t -141.36 131.71 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.17 -56.29 15.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 64.23 112.495 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.68 -138.45 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 73.01 112.494 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 p -71.03 -40.29 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 51.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.88 -41.08 61.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.61 -44.19 10.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.833 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.73 -42.42 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.45 -34.34 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 51.32 110.972 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.3 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 50.53 111.129 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.91 92.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.907 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' OE1' HD22 ' A' ' 82' ' ' LEU . 30.4 mm-40 -60.38 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.874 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.14 -40.8 26.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.13 -30.11 70.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.903 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.29 41.53 1.9 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 13.11 112.51 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -129.98 30.2 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 73.21 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.515 HD22 ' OE1' ' A' ' 77' ' ' GLU . 3.9 pp -84.53 -40.42 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.04 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 82' ' ' LEU . 18.0 t70 -51.36 -35.35 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.9 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.87 -21.24 23.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.861 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.56 -44.17 35.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.903 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.502 HD23 ' HZ2' ' A' ' 29' ' ' LYS . 4.6 pp -80.77 -18.52 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 70.03 110.92 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.92 -27.22 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 63.21 110.877 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.3 p -146.11 -49.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.54 111.121 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 103.8 110.18 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 72.54 112.514 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.544 ' N ' HD12 ' A' ' 62' ' ' ILE . 19.6 ttmt -142.65 160.49 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 74.14 110.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.87 HD23 HG13 ' A' ' 65' ' ' VAL . 1.6 pp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.818 0.342 . . . . 71.54 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.96 137.35 51.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.48 147.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.3 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.98 150.21 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 65.42 111.073 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.09 135.74 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 65.24 111.182 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -93.2 108.08 19.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.67 166.57 3.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 74.11 111.112 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.2 159.61 83.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 74.32 110.852 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 79.1 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 75.01 112.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.61 108.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 63.45 112.441 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m 160.19 -49.49 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 C-N-CA 128.744 2.818 . . . . 71.33 114.458 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.49 -173.59 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 116.772 -1.685 . . . . 74.44 112.319 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.39 56.77 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.674 0.75 . . . . 64.32 111.52 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.5 p -107.36 -7.26 16.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 65.24 110.855 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.12 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 51.03 111.142 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -61.37 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -33.11 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.42 111.147 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.6 -46.41 82.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.891 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.48 -58.81 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 63.43 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.512 HD21 ' CD ' ' B' ' 77' ' ' GLU . 1.7 tp -52.03 -53.93 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.911 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.565 HD13 ' CG ' ' B' ' 33' ' ' PHE . 11.2 mt -55.27 -38.06 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.903 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.96 82.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 45.31 111.069 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -46.4 88.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.942 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HD2' HD13 ' B' ' 82' ' ' LEU . 13.8 mtmt -81.96 0.37 40.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.861 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.67 16.01 49.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 72.1 112.494 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 168.87 7.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.719 0.295 . . . . 53.44 111.06 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.14 140.68 40.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.846 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.565 ' CG ' HD13 ' B' ' 26' ' ' LEU . 14.0 p90 -143.9 157.77 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.858 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.74 129.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 35.34 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.79 153.37 21.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.786 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -129.39 113.72 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 50.41 111.177 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.1 105.83 1.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.44 178.01 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 71.11 111.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.77 28.84 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.853 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 -39.24 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 53.3 111.088 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.78 147.42 62.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 74.31 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.89 36.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 72.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.18 -27.34 42.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -82.11 -59.56 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 62.42 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -30.63 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.24 95.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.507 . . . . 41.12 111.126 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -61.9 -50.86 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 72.21 110.875 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -69.05 -25.93 64.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.961 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -68.95 -25.98 64.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.32 110.933 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.16 -57.95 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.1 110.781 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -28.44 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p 51.98 37.76 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.838 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.53 174.53 0.38 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 73.23 112.46 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -53.6 171.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 74.43 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -109.97 16.43 21.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.37 0.605 . . . . 52.51 112.164 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.8 p -78.56 -38.92 39.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.721 -0.612 . . . . 72.34 111.163 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.09 157.25 77.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.601 0.715 . . . . 74.33 110.84 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.2 4.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.626 2.217 . . . . 72.2 112.343 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.77 132.7 48.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 65.42 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mm -102.98 144.35 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.34 111.147 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.62 127.9 33.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.853 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.553 HD12 ' N ' ' B' ' 90' ' ' LYS . 4.3 pt -130.7 108.2 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.118 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 -118.48 8.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 53.11 112.553 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.15 31.53 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.32 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.897 HG13 HD23 ' B' ' 91' ' ' LEU . 39.8 t -127.82 131.68 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 63.35 111.131 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -85.71 151.25 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 74.14 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 t -141.32 131.82 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.15 -56.27 15.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.23 112.611 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.67 -138.44 4.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 73.01 112.533 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.7 p -71.19 -40.19 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 51.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.9 -41.09 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -44.3 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.821 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.858 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.5 -34.32 60.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 51.32 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 50.53 111.029 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.77 93.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 73.41 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.512 ' CD ' HD21 ' B' ' 25' ' ' LEU . 30.4 mm-40 -60.43 -31.14 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.85 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.11 -40.77 26.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.24 -30.02 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.85 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.51 1.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 13.11 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -130.05 30.24 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 73.21 110.939 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.512 HD22 ' OE1' ' B' ' 77' ' ' GLU . 3.9 pp -84.5 -40.41 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 62.04 110.974 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.493 ' N ' HD12 ' B' ' 82' ' ' LEU . 18.0 t70 -51.34 -35.43 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.904 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.73 -21.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.2 110.848 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.65 -44.07 35.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.472 HD23 ' HZ2' ' B' ' 29' ' ' LYS . 4.6 pp -80.79 -18.52 47.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 70.03 110.917 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.87 -27.38 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 63.21 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 39.0 p -146.04 -49.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.54 111.118 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.528 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 103.82 110.27 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.827 -0.701 . . . . 72.54 112.483 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . 0.553 ' N ' HD12 ' B' ' 62' ' ' ILE . 19.6 ttmt -142.71 160.47 40.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.761 0.315 . . . . 74.14 110.954 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.897 HD23 HG13 ' B' ' 65' ' ' VAL . 1.6 pp -100.73 -19.28 16.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 70.22 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.244 0.776 0 CA-C-O 117.126 -1.416 . . . . 64.31 110.368 -172.618 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 88' ' ' THR . 2.4 t . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.859 0.361 . . . . 73.54 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' H ' HG12 ' A' ' 6' ' ' VAL . 2.1 t70 -147.93 147.89 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 62' ' ' ILE . 22.5 t -99.01 147.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 54.21 111.13 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' ILE . 3.5 mp -133.33 152.22 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.128 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.558 HD13 ' HE3' ' A' ' 23' ' ' LYS . 17.9 tt -132.92 135.97 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.35 111.108 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 36' ' ' ILE . 9.6 m-85 -94.36 104.86 16.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.71 154.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 62.04 111.122 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 160.43 16.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 75.43 110.842 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.93 -12.6 32.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 74.03 112.268 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 171.8 106.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 62.44 112.499 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.956 ' HA ' HH21 ' B' ' 13' ' ' ARG . 1.5 m 168.26 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.314 -0.975 0 N-CA-C 117.873 2.546 . . . . 74.1 117.873 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.5 -173.39 0.97 Allowed 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 121.172 1.248 . . . . 74.1 112.315 173.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.94 61.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 120.706 -1.246 . . . . 72.32 112.03 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.33 34.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.331 -0.856 . . . . 73.44 110.932 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.99 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 74.45 111.157 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 14.6 mmt180 -64.95 -63.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.02 -40.13 60.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 74.43 111.17 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.558 ' HE3' HD13 ' A' ' 10' ' ' ILE . 14.2 mmtp -71.72 -29.72 64.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -52.71 -56.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 65.2 111.072 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD22 HD11 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -57.12 -53.54 56.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.911 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 31' ' ' ALA . 4.9 mt -56.97 -25.32 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.15 110.935 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.84 -23.46 41.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 43.02 111.093 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -76.3 -33.98 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.842 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.67 ' HE2' HD13 ' A' ' 82' ' ' LEU . 3.7 ptpp? -112.43 12.21 20.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.15 110.842 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.646 -0.788 . . . . 45.45 112.537 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -54.75 166.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 61.31 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.05 118.57 37.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -130.64 159.05 38.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.29 125.19 25.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 155.46 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 9' ' ' ILE . 74.2 mt -132.33 121.4 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 42.14 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.8 103.56 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 74.52 110.795 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.75 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.25 27.4 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.03 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.71 -34.01 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.022 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.84 147.69 65.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 71.34 111.138 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.65 -15.96 37.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 62.5 112.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.01 -26.2 39.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 64.45 110.827 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -89.77 -52.61 4.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.251 -0.431 . . . . 61.24 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 12.7 ptm180 -56.28 -28.63 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 72.45 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.86 -21.48 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.11 111.157 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.32 -35.05 68.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.874 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.28 -19.94 32.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.05 110.817 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.38 -24.1 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 52.32 110.89 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -83.04 -43.46 16.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -89.79 10.01 25.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 63.24 110.794 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.82 129.39 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.906 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.14 -102.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 75.12 112.546 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.834 ' NH1' HH11 ' B' ' 54' ' ' ARG . 10.3 mmt180 -83.1 -31.95 27.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.337 . . . . 74.23 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.52 35.81 20.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.609 1.164 . . . . 54.43 110.395 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 p -78.3 -44.55 25.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.452 0.701 . . . . 75.32 111.079 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -127.0 157.47 71.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 72.33 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.87 -179.73 3.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.642 2.228 . . . . 71.2 112.31 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.31 152.06 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.25 110.939 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -116.77 144.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.42 111.198 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -132.22 105.97 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 75.4 110.916 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.789 HD13 HD12 ' A' ' 85' ' ' LEU . 4.8 pt -115.17 125.98 72.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 70.24 111.182 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.39 39.63 59.76 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 73.23 112.605 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 m 63.74 25.18 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 72.15 110.794 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.2 t -106.27 148.41 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -84.99 129.39 34.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.886 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 69' ' ' GLY . 60.1 t -128.82 132.78 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 72.21 111.153 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.91 -29.82 14.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 63.15 112.54 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.703 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 129.58 -157.64 21.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.454 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.78 -35.82 45.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 62.45 110.896 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.08 -50.61 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 61.52 110.874 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.56 -44.44 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.932 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 25' ' ' LEU . 1.7 tt -51.43 -42.36 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 71.41 110.895 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.17 -41.78 89.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.87 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.83 -40.1 72.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.55 111.047 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.3 mt -61.45 -39.63 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.935 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' OE1' HD22 ' A' ' 82' ' ' LEU . 8.8 tp10 -59.5 -32.84 70.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -55.73 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.912 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.1 -29.84 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.01 111.006 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.82 48.44 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 74.1 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -127.84 25.34 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 64.34 110.907 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.67 HD13 ' HE2' ' A' ' 29' ' ' LYS . 4.0 pp -79.49 -36.38 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.948 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.441 ' N ' HD12 ' A' ' 82' ' ' LEU . 14.5 t70 -56.46 -51.72 67.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 62.12 110.887 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.81 -25.48 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 63.33 110.832 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -69.88 -51.04 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 74.03 110.954 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -78.9 -9.75 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.55 110.988 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -25.46 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 61.44 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.674 ' HA ' HG21 ' A' ' 6' ' ' VAL . 30.9 p -147.07 -46.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 45.13 111.095 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.62 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 83.16 104.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 52.13 112.538 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.52 172.52 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.816 0.341 . . . . 70.13 110.919 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.23 110.883 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.668 HG21 ' HA ' ' B' ' 88' ' ' THR . 2.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.824 0.345 . . . . 73.54 111.132 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.404 ' H ' HG12 ' B' ' 6' ' ' VAL . 2.2 t70 -147.96 147.88 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 62.34 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.677 HG22 HG22 ' B' ' 62' ' ' ILE . 22.4 t -99.03 147.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 54.21 111.107 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.615 HG21 HD11 ' B' ' 36' ' ' ILE . 3.5 mp -133.35 152.24 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.52 111.118 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.566 HD13 ' HE3' ' B' ' 23' ' ' LYS . 17.9 tt -132.94 135.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 71.35 111.117 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' B' ' 36' ' ' ILE . 9.6 m-85 -94.33 104.77 16.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.84 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.65 154.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 62.04 111.121 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.956 HH21 ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -60.13 160.45 16.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.43 110.823 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -12.71 33.31 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.711 2.274 . . . . 74.03 112.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 171.81 110.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 62.44 112.455 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.304 14.7 t 135.42 -0.83 0.0 OUTLIER Pre-proline 0 CA--C 1.573 1.843 1 C-N-CA 132.76 4.424 . . . . 74.1 121.177 153.902 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.98 -173.24 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 114.632 -3.112 . . . . 74.1 112.34 148.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.2 65.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.762 0.792 . . . . 72.32 111.723 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 p -93.98 34.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.291 -0.881 . . . . 73.44 110.834 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.02 -27.02 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.108 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -64.87 -63.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.54 110.913 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.04 -40.13 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.566 ' HE3' HD13 ' B' ' 10' ' ' ILE . 14.3 mmtp -71.77 -29.71 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.895 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.45 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 65.2 111.154 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.612 HD22 HD21 ' B' ' 73' ' ' LEU . 0.7 OUTLIER -57.17 -53.52 57.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.932 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' B' ' 31' ' ' ALA . 4.8 mt -56.97 -25.24 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.009 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 -23.47 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 43.02 111.138 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -76.31 -33.88 59.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.69 ' HE2' HD13 ' B' ' 82' ' ' LEU . 3.7 ptpp? -112.44 12.16 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 72.15 110.858 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.82 28.01 22.31 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.717 -0.754 . . . . 45.45 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.643 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -54.76 165.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 61.31 111.086 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.02 118.48 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.893 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -130.6 159.05 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.31 125.14 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.918 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.43 155.45 31.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.615 HD11 HG21 ' B' ' 9' ' ' ILE . 73.8 mt -132.31 121.36 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 42.14 111.095 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.77 103.58 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.844 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.92 179.81 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.125 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.2 27.35 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 53.03 110.819 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.64 -34.02 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 72.33 111.049 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.74 147.7 65.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 71.34 111.129 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.402 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 54.8 Cg_endo -69.65 -15.95 37.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.717 2.278 . . . . 62.5 112.4 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.04 -26.21 39.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.78 -52.6 4.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 61.24 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 12.7 ptm180 -56.11 -28.73 58.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.945 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.82 -21.58 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.167 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.17 -35.2 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.16 -19.89 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.05 110.966 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.37 -24.12 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -83.01 -43.6 16.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.848 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -89.64 10.05 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 63.24 110.926 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.84 129.38 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 61.24 110.877 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.17 -102.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.485 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.834 HH11 ' NH1' ' A' ' 54' ' ' ARG . 10.3 mmt180 -83.01 -30.58 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 74.23 110.91 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m120 62.09 29.53 17.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.088 1.355 . . . . 54.43 112.038 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -75.1 -44.42 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.393 . . . . 75.32 111.158 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -127.07 157.37 72.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 72.33 110.931 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.423 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.3 Cg_endo -69.72 -179.76 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.702 2.268 . . . . 71.2 112.363 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.32 152.03 22.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 mm -116.85 144.43 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.046 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -132.26 105.99 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.4 110.927 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.796 HD13 HD12 ' B' ' 85' ' ' LEU . 4.8 pt -115.17 125.97 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 70.24 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.36 39.74 59.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 73.23 112.508 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m 63.65 25.17 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 72.15 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 36.6 t -106.24 148.45 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 70.01 111.174 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -85.05 129.39 34.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 73.12 110.788 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.698 HG12 ' H ' ' B' ' 69' ' ' GLY . 61.5 t -128.86 132.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 72.21 111.117 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.85 14.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 63.15 112.436 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.698 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 129.62 -157.67 21.89 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.773 -0.727 . . . . 74.33 112.421 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.77 -35.86 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 62.45 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.05 -50.54 61.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 61.52 110.84 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.64 -44.49 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.873 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.612 HD21 HD22 ' B' ' 25' ' ' LEU . 1.7 tt -51.36 -42.45 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.882 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.13 -41.74 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.89 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.55 111.087 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.4 HD12 HD13 ' B' ' 85' ' ' LEU . 61.3 mt -61.59 -39.49 91.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.955 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.53 -32.84 70.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.82 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -55.7 5.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.16 -29.76 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.922 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.71 48.52 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 74.1 112.465 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -127.85 25.36 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 64.34 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' B' ' 29' ' ' LYS . 4.0 pp -79.52 -36.49 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.841 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.451 ' N ' HD12 ' B' ' 82' ' ' LEU . 14.5 t70 -56.42 -51.76 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.12 110.867 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.69 -25.57 65.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 63.33 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.796 HD12 HD13 ' B' ' 62' ' ' ILE . 0.4 OUTLIER -69.94 -51.05 36.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 74.03 110.875 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.447 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -78.85 -9.89 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 55.55 110.97 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.64 -25.37 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 61.44 110.846 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.668 ' HA ' HG21 ' B' ' 6' ' ' VAL . 31.1 p -147.08 -46.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 45.13 111.111 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.617 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 83.2 104.65 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 52.13 112.484 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.6 172.49 10.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.803 0.335 . . . . 70.13 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -20.61 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 70.23 110.876 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 119.711 -1.868 . . . . 63.11 111.306 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.754 HG21 ' O ' ' A' ' 88' ' ' THR . 35.3 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.899 0.381 . . . . 70.14 111.09 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -162.19 146.21 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.852 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 62' ' ' ILE . 21.5 t -80.21 140.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.3 111.162 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.582 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.1 mp -133.6 138.23 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.44 111.115 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.593 HD13 ' HE3' ' A' ' 23' ' ' LYS . 16.3 tt -114.39 143.85 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.065 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD1' HD12 ' A' ' 36' ' ' ILE . 6.9 m-85 -93.18 99.86 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -171.56 146.88 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.196 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 158.92 3.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 74.53 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 83.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 71.35 112.385 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 31.44 112.474 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 161.87 -46.69 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 126.39 1.876 . . . . 73.42 115.241 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.84 -173.35 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 CA-C-N 119.159 0.735 . . . . 74.14 112.393 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -64.81 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 116.397 -1.764 . . . . 71.42 110.312 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 p 32.67 47.84 0.11 Allowed 'General case' 0 C--N 1.343 0.294 0 C-N-CA 126.175 1.79 . . . . 75.01 110.907 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.34 -41.84 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 62.23 111.182 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -56.65 -44.97 81.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 65.14 110.811 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -62.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 43.42 111.139 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.593 ' HE3' HD13 ' A' ' 10' ' ' ILE . 20.4 mmtp -53.22 -30.77 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.929 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB3' ' HH ' ' A' ' 74' ' ' TYR . . . -53.1 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.088 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD22 ' CD2' ' A' ' 73' ' ' LEU . 12.8 tp -51.83 -52.96 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD13 ' CG ' ' A' ' 33' ' ' PHE . 7.1 mt -56.05 -25.54 45.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.953 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.03 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.074 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -76.51 -31.12 57.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.839 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -117.45 13.97 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.88 28.01 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 71.34 112.487 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -64.29 169.89 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 72.3 111.1 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.76 152.18 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CG ' HD13 ' A' ' 26' ' ' LEU . 28.1 p90 -166.73 153.24 8.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.882 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.05 124.42 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.894 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -77.66 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.24 110.924 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.582 HD11 ' CG2' ' A' ' 9' ' ' ILE . 60.6 mt -117.75 118.48 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.03 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -69.02 107.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 62.34 110.884 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.4 178.82 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.092 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m 59.38 26.33 15.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 71.44 111.069 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.617 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -127.45 147.61 63.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 64.13 111.14 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.5 Cg_endo -69.76 -15.11 36.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 54.1 112.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -74.51 -58.16 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 52.22 110.759 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.617 HD12 ' CG2' ' A' ' 41' ' ' THR . 39.4 mt -56.68 -57.69 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.42 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 23.9 ptt180 -51.9 -32.02 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.857 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.33 73.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 50.15 111.093 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.2 -50.2 74.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 44.51 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtp -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.903 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.24 -27.51 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 75.45 110.892 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.02 -53.3 54.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.847 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.64 -32.96 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 74.21 110.808 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 56.99 39.74 29.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 63.04 110.898 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.04 -173.66 2.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 64.23 112.499 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -53.67 167.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 65.52 110.846 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -125.1 39.52 3.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.43 0.692 . . . . 65.23 111.347 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -109.03 -26.16 10.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.476 -0.765 . . . . 64.12 111.137 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.1 157.26 69.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 73.31 110.836 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.3 Cg_endo -69.8 -176.8 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.2 112.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -113.34 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.9 150.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 63.11 111.05 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -140.37 139.32 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 73.42 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 8' ' ' VAL . 1.4 pt -141.12 109.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 64.01 111.138 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.62 -119.49 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 73.41 112.556 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.56 27.57 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 72.41 110.876 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.51 145.51 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 54.53 111.099 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -100.2 145.56 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.861 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.7 t -138.15 128.89 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.2 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.73 -85.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.479 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.03 -161.19 10.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 63.51 112.432 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 p -51.89 -32.22 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 62.12 110.878 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.45 -51.18 60.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.824 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.76 -43.79 35.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.426 ' CD2' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.88 -41.32 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.909 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.415 ' HH ' ' HB3' ' A' ' 24' ' ' ALA . 6.3 m-85 -74.89 -41.8 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 65.14 110.938 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.13 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 53.42 111.165 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.91 -38.74 91.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.706 ' HA ' HD23 ' A' ' 82' ' ' LEU . 5.6 tm-20 -60.22 -31.3 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.924 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.2 -52.93 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.784 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.61 -25.88 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 63.23 110.93 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.29 50.29 1.75 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 74.21 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -129.97 24.46 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 74.13 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 77' ' ' GLU . 3.8 pp -90.1 -36.65 14.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 73.22 110.895 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.29 -60.93 2.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 64.05 110.818 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -67.04 -16.26 64.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.874 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.508 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.9 tt -77.36 -47.6 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 86' ' ' LEU . 4.5 pp -77.33 -17.5 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 70.1 110.933 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -39.04 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 65.23 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.754 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.9 t -141.65 -41.63 0.36 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 64.25 111.126 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.527 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 98.17 101.46 2.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 25.42 112.464 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.09 176.51 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 74.24 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 70.33 110.973 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.747 HG21 ' O ' ' B' ' 88' ' ' THR . 35.4 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.858 0.361 . . . . 70.14 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -162.2 146.19 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.863 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.554 HG22 HG22 ' B' ' 62' ' ' ILE . 21.5 t -80.15 140.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.3 111.1 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.581 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.1 mp -133.67 138.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 71.44 111.121 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.58 HD13 ' HE3' ' B' ' 23' ' ' LYS . 16.3 tt -114.42 143.84 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.34 111.101 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.508 ' CD1' HD12 ' B' ' 36' ' ' ILE . 6.9 m-85 -93.18 99.94 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.944 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 t -171.62 146.92 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 72.41 111.157 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 159.0 3.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 74.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 83.89 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 71.35 112.38 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 111.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 31.44 112.482 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.257 11.7 m 144.64 -26.44 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 C-N-CA 131.064 3.746 . . . . 73.42 120.255 168.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.23 -174.34 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 115.49 -2.54 . . . . 74.14 112.361 161.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -69.19 -74.12 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 114.704 -2.569 . . . . 71.42 110.633 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.1 p 33.14 47.96 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 120.383 1.447 . . . . 75.01 110.879 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.44 -41.78 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.23 111.17 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -56.71 -44.86 81.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 65.14 110.876 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -62.8 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 43.42 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.58 ' HE3' HD13 ' B' ' 10' ' ' ILE . 20.5 mmtp -53.09 -30.87 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.937 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.404 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -53.02 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.127 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' B' ' 73' ' ' LEU . 12.8 tp -51.9 -52.93 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.931 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' B' ' 33' ' ' PHE . 7.1 mt -56.05 -25.54 45.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.95 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.04 25.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.136 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.55 -31.06 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.856 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 0.9 OUTLIER -117.48 13.97 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.86 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 28.0 23.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 71.34 112.48 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.513 ' HB2' ' HG3' ' B' ' 29' ' ' LYS . . . -64.39 169.84 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 72.3 111.071 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.6 152.22 19.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 72.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.517 ' CG ' HD13 ' B' ' 26' ' ' LEU . 28.1 p90 -166.79 153.24 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.841 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.03 124.46 23.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -77.78 144.36 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.841 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.581 HD11 ' CG2' ' B' ' 9' ' ' ILE . 60.7 mt -117.86 118.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.488 . . . . 71.03 111.106 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.97 107.88 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 62.34 110.882 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.47 178.81 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 71.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m 59.34 26.38 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.894 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.95 -35.22 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.102 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.599 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -127.52 147.7 63.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 64.13 111.086 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 53.8 Cg_endo -69.83 -15.12 36.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 54.1 112.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -74.46 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 52.22 110.797 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.599 HD12 ' CG2' ' B' ' 41' ' ' THR . 39.6 mt -56.71 -57.65 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 62.42 110.911 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 24.0 ptt180 -52.0 -31.89 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.23 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 50.15 111.118 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.21 -50.21 74.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 44.51 110.852 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.0 mtp -71.28 -29.13 64.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.22 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.12 -27.65 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.924 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.04 -53.19 56.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.63 -33.02 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.81 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 57.01 39.79 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 63.04 110.872 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -173.7 2.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 64.23 112.438 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -53.67 167.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 65.52 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -126.81 45.22 2.73 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.278 0.631 . . . . 65.23 111.108 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -114.08 -26.01 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.783 0.325 . . . . 64.12 111.13 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.15 157.35 69.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.31 110.826 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.406 ' CG ' HD11 ' B' ' 10' ' ' ILE . 52.8 Cg_endo -69.93 -176.77 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.269 . . . . 73.2 112.313 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -113.44 140.69 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 71.43 110.925 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.83 150.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.43 139.29 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.554 HG22 HG22 ' B' ' 8' ' ' VAL . 1.4 pt -141.08 109.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.01 111.136 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.61 -119.48 12.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 73.41 112.417 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.58 27.61 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 72.41 110.856 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.55 145.48 25.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 54.53 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -100.13 145.51 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.903 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 37.6 t -138.18 128.87 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 64.1 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -85.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.33 112.516 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.97 -161.14 9.96 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 63.51 112.48 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -51.93 -32.2 31.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.914 0.388 . . . . 62.12 110.883 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.41 -51.27 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.44 110.805 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.67 -43.79 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.921 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.419 ' CD2' HD22 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -52.92 -41.33 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 63.15 110.874 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.404 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 6.3 m-85 -74.94 -41.74 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.67 -42.12 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 53.42 111.165 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.86 -38.79 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.683 ' HA ' HD23 ' B' ' 82' ' ' LEU . 5.5 tm-20 -60.23 -31.33 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.856 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.11 -52.86 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 64.13 110.88 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.62 -25.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.23 110.88 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.35 50.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 74.21 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -129.94 24.42 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 74.13 110.862 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' B' ' 77' ' ' GLU . 3.8 pp -90.01 -36.68 14.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.857 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.34 -60.84 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 64.05 110.813 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -67.12 -16.28 64.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 71.51 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.506 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.9 tt -77.41 -47.53 19.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.95 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.413 ' C ' HD12 ' B' ' 86' ' ' LEU . 4.5 pp -77.44 -17.46 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -38.97 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 65.23 110.883 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.747 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.9 t -141.65 -41.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 64.25 111.132 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.53 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 98.18 101.49 2.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 25.42 112.476 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.1 176.47 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 74.24 110.92 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 -28.26 11.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 115.707 -2.092 . . . . 74.42 111.418 -171.661 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.565 HG21 ' CA ' ' A' ' 88' ' ' THR . 28.2 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.782 0.325 . . . . 73.2 111.147 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -172.78 146.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 64.24 110.873 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 62' ' ' ILE . 22.8 t -85.06 145.52 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 73.23 111.062 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.65 145.18 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 53.42 111.081 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.693 HD11 ' CG ' ' A' ' 58' ' ' PRO . 14.4 tt -127.29 126.62 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 64.25 111.104 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -89.74 101.91 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.81 170.38 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 71.03 111.159 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 135.48 87.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.626 0.726 . . . . 74.3 110.849 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 77.46 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.738 2.292 . . . . 62.45 112.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.55 98.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 54.31 112.443 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 162.28 -49.47 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.299 0 C-N-CA 126.782 2.033 . . . . 64.0 115.579 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.23 -171.34 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 117.901 -0.933 . . . . 52.02 112.31 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -93.64 42.11 1.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 119.634 -1.916 . . . . 73.21 110.389 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.64 43.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.368 -0.832 . . . . 54.21 110.937 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.41 17.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -65.81 -46.14 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 70.4 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.65 73.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 43.43 111.109 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HA ' HD12 ' A' ' 26' ' ' LEU . 19.0 mmtp -64.5 -43.61 93.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.821 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 24.24 111.123 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.728 HD22 HD21 ' A' ' 73' ' ' LEU . 2.2 tt -57.56 -47.24 82.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 74.05 110.897 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.676 HD13 ' CD1' ' A' ' 33' ' ' PHE . 7.0 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.813 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.81 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -72.42 -54.99 7.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.888 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -87.9 7.88 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.9 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.29 35.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 41.22 112.442 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.588 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -76.37 169.89 17.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 43.33 111.119 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.8 160.07 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 61.14 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.676 ' CD1' HD13 ' A' ' 26' ' ' LEU . 14.3 p90 -165.98 148.28 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 54.15 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.27 126.63 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.922 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.658 ' O ' HD13 ' A' ' 36' ' ' ILE . 18.1 mt-10 -81.24 158.04 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.4 110.827 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 35' ' ' GLU . 25.5 mm -127.93 123.64 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 54.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -73.63 104.37 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.848 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.95 -179.89 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 71.51 111.063 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.55 21.21 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.11 110.819 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.48 -33.28 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 55.24 111.136 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -126.58 148.42 64.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.602 0.715 . . . . 72.35 111.097 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -11.69 31.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 74.14 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.97 -49.25 12.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.577 HD21 HG22 ' A' ' 36' ' ' ILE . 8.6 mp -63.49 -56.49 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.866 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.9 -27.6 31.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 63.23 110.961 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.76 -44.38 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 65.43 111.061 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.42 -53.89 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -56.93 -24.24 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.864 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.43 -21.65 60.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.911 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.78 -43.02 80.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.812 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.04 10.53 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.05 110.822 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.59 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 70.31 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.96 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.806 -0.712 . . . . 42.21 112.469 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -97.81 121.51 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 73.41 110.824 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 73.79 7.94 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.541 -1.349 . . . . 73.43 109.0 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -113.72 -24.64 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.66 -1.154 . . . . 71.11 111.099 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.75 158.38 34.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.742 . . . . 74.24 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.693 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.69 -178.36 2.28 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.735 2.29 . . . . 70.42 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.13 125.24 52.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.86 150.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 63.21 111.069 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.19 126.04 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.01 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 8' ' ' VAL . 1.2 pt -134.81 123.1 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.23 111.107 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.37 -117.47 6.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 64.12 112.484 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.62 25.84 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 74.35 110.83 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.95 142.73 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 72.54 111.087 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.96 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.866 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -133.89 88.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.216 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.72 74.87 1.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.777 . . . . 50.01 112.479 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.6 110.99 0.41 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.757 -0.735 . . . . 60.03 112.525 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -51.85 -32.52 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.5 110.84 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.92 -35.83 77.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.03 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -67.01 -32.6 73.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.01 110.917 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -67.86 -30.4 69.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 54.05 110.921 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.11 -28.56 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 73.01 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -50.66 70.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 72.01 111.058 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.09 -42.67 98.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HG2' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.81 -31.45 72.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 65.42 110.861 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.05 -35.95 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.54 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.18 -30.22 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.792 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.5 42.22 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.833 -0.699 . . . . 73.25 112.422 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -129.42 29.36 5.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.874 0.368 . . . . 73.34 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' A' ' 77' ' ' GLU . 3.1 pp -83.03 -36.99 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.97 -65.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.84 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -58.24 -22.21 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 65.32 110.895 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.489 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.3 tt -73.34 -45.94 52.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.479 . . . . 71.5 110.936 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.541 HD23 ' HE2' ' A' ' 29' ' ' LYS . 4.6 pp -85.79 -9.87 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HE2' HG22 ' A' ' 88' ' ' THR . 0.0 OUTLIER -96.56 -31.64 12.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 74.21 110.925 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.565 ' CA ' HG21 ' A' ' 6' ' ' VAL . 25.3 p -137.56 -47.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.148 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.554 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 101.33 73.54 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.677 -0.773 . . . . 52.42 112.488 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -125.06 150.24 47.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 74.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 54.35 110.956 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' B' ' 88' ' ' THR . 28.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.813 0.339 . . . . 73.2 111.192 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -172.76 146.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.818 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.883 HG22 HG22 ' B' ' 62' ' ' ILE . 22.8 t -84.98 145.57 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.23 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.69 145.04 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 53.42 111.144 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.681 HD11 ' CG ' ' B' ' 58' ' ' PRO . 14.4 tt -127.22 126.64 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.25 111.092 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.8 102.01 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.917 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.88 170.33 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 71.03 111.146 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.405 ' HB3' ' HD3' ' B' ' 17' ' ' PRO . 0.0 OUTLIER -69.91 135.41 87.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 74.3 110.843 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 77.54 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.774 2.316 . . . . 62.45 112.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 99.4 1.15 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 54.31 112.548 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 157.17 -42.04 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 C-N-CA 129.046 2.938 . . . . 64.0 117.643 171.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HB3' ' B' ' 13' ' ' ARG . 52.2 Cg_endo -69.13 -170.27 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 115.904 -2.264 . . . . 52.02 112.277 170.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.66 41.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 119.981 -1.699 . . . . 73.21 109.626 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.08 43.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.047 -1.033 . . . . 54.21 110.88 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.13 -31.39 17.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.07 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.85 -46.12 79.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 70.4 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.75 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 43.43 111.118 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' B' ' 26' ' ' LEU . 19.0 mmtp -64.44 -43.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.876 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.18 61.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 24.24 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.725 HD22 HD21 ' B' ' 73' ' ' LEU . 2.2 tt -57.57 -47.2 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.883 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' B' ' 33' ' ' PHE . 6.9 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.875 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 -24.66 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.054 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.49 -54.99 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.891 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.585 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -87.82 7.88 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.906 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.66 34.4 35.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.77 -0.729 . . . . 41.22 112.461 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.61 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -76.43 169.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 43.33 111.099 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.74 160.07 14.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 61.14 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.682 ' CD1' HD13 ' B' ' 26' ' ' LEU . 14.2 p90 -166.02 148.29 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 54.15 110.909 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.28 126.52 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.946 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.661 ' O ' HD13 ' B' ' 36' ' ' ILE . 18.0 mt-10 -81.17 157.97 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.88 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' O ' ' B' ' 35' ' ' GLU . 25.4 mm -127.9 123.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 54.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.61 104.38 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.878 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.89 -179.9 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.154 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.57 21.22 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.812 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.52 -33.14 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 55.24 111.172 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.511 ' CG2' HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -126.64 148.39 64.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 72.35 111.145 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -11.64 31.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 74.14 112.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.02 -49.19 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 63.41 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.579 HD21 HG22 ' B' ' 36' ' ' ILE . 8.6 mp -63.52 -56.41 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.906 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.87 -27.76 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.879 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.65 -44.45 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 65.43 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -70.34 -53.99 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.83 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -57.0 -24.17 51.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.4 -21.71 60.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.945 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.71 -42.97 81.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.857 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.16 10.6 23.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.05 110.871 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.55 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.857 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.63 -102.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 42.21 112.451 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mmt-85 -97.84 125.51 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 73.41 110.893 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.13 61.12 6.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.595 -0.729 . . . . 73.43 112.242 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.1 p -112.44 -24.68 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.917 -0.489 . . . . 71.11 111.11 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.76 158.37 34.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 74.24 110.833 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.681 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.0 Cg_endo -69.75 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 70.42 112.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.08 125.26 52.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.912 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.88 150.89 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 63.21 111.084 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -146.14 126.02 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 50.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.883 HG22 HG22 ' B' ' 8' ' ' VAL . 1.2 pt -134.7 123.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 73.23 111.147 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.38 -117.5 6.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 64.12 112.488 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.64 25.9 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 74.35 110.86 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.01 142.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 72.54 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.98 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 75.52 110.846 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -133.88 88.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.5 111.184 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.79 74.83 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 50.01 112.468 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.64 110.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 60.03 112.469 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.3 t -51.8 -32.52 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.5 110.905 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.96 -35.84 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 73.03 110.806 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.01 -32.63 73.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 71.01 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.725 HD21 HD22 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -67.88 -30.37 69.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 54.05 110.886 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.11 -28.57 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.853 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.61 70.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.01 111.136 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.14 -42.62 98.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.85 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.718 ' HG2' HD11 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -62.85 -31.43 72.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.881 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -36.01 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.54 110.855 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -76.23 -30.01 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.34 42.13 1.54 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 73.25 112.543 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -129.38 29.41 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 73.34 110.94 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.12 -36.88 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -58.03 -65.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 70.24 110.856 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 47.8 m -58.33 -22.15 52.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 65.32 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.495 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.2 tt -73.4 -45.99 51.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 71.5 110.88 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.548 HD23 ' HE2' ' B' ' 29' ' ' LYS . 4.6 pp -85.73 -9.89 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 62.11 110.864 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' B' ' 88' ' ' THR . 0.0 OUTLIER -96.56 -31.59 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 74.21 110.916 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.561 ' HA ' HG21 ' B' ' 6' ' ' VAL . 25.1 p -137.53 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.174 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.563 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 101.4 73.58 1.03 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 52.42 112.427 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -125.06 150.19 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 74.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.547 ' H ' HD23 ' B' ' 91' ' ' LEU . 1.0 OUTLIER -91.48 -22.87 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 54.35 110.963 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.245 0.829 0 N-CA-C 109.438 -0.579 . . . . 52.31 109.438 -169.198 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.877 0.37 . . . . 40.22 111.094 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.84 147.44 40.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 62' ' ' ILE . 19.4 t -94.89 133.52 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 65.53 111.182 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.83 149.26 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 54.23 111.129 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.656 HG13 HD13 ' A' ' 60' ' ' ILE . 12.6 tt -132.77 140.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.1 111.153 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 36' ' ' ILE . 7.1 m-85 -89.82 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.08 148.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.23 111.112 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -59.44 160.67 12.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 72.02 110.861 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 78.85 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 74.14 112.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 71.12 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m 162.32 -49.51 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.405 0 C-N-CA 127.218 2.207 . . . . 71.54 114.24 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.21 -170.72 0.44 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 119.606 0.895 . . . . 74.34 112.273 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.98 47.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.965 0.888 . . . . 64.14 109.311 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.66 34.67 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.394 -0.816 . . . . 61.11 110.877 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.15 -35.25 21.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.78 -48.89 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 65.51 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.8 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 71.14 111.164 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.55 -29.4 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.977 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.12 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 54.1 111.11 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.9 HD22 HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -71.41 -49.53 40.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.86 -39.55 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.55 110.936 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.38 53.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 63.23 111.149 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.41 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.809 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.667 ' HD2' HD13 ' A' ' 82' ' ' LEU . 22.6 mtmm -94.75 10.34 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.889 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.36 20.17 43.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 74.24 112.553 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 169.49 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 53.2 111.133 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -104.0 159.85 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 54.53 110.86 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -160.58 164.5 31.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 74.02 110.894 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -137.91 130.8 29.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 53.22 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -94.59 136.58 34.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 65.32 110.887 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' A' ' 11' ' ' TYR . 59.8 mt -104.15 132.72 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 74.13 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.05 91.51 1.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.78 179.86 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 16.79 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 71.03 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 -5.51 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.414 HG23 HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -172.3 152.79 2.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.572 0.701 . . . . 62.43 111.046 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -7.97 22.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.687 2.258 . . . . 74.51 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -50.81 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 51.03 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 44' ' ' LEU . 1.8 mm? -83.95 -40.5 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 53.42 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.35 -28.58 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.908 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.63 48.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 51.44 111.046 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.63 -35.39 45.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 74.43 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.1 mtp -90.79 -24.49 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 72.24 110.813 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -19.86 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 74.51 110.915 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.33 -49.1 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.08 -60.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -67.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.789 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.12 3.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 40.01 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -73.63 -23.34 59.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 73.21 110.92 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 60.48 27.63 17.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.123 1.514 . . . . 51.13 110.677 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.695 HG23 ' CD2' ' A' ' 57' ' ' PHE . 2.8 t -58.55 -30.31 67.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.659 -1.155 . . . . 65.2 111.117 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.695 ' CD2' HG23 ' A' ' 56' ' ' THR . 1.5 p90 -141.34 157.58 65.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 73.43 110.875 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 161.82 44.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 71.12 112.42 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 118.0 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.978 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.656 HD13 HG13 ' A' ' 10' ' ' ILE . 25.0 mm -90.02 128.2 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 74.11 111.109 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.65 143.8 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 73.55 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 8' ' ' VAL . 10.5 mt -145.33 111.91 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.22 111.151 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.53 -102.97 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 71.2 112.471 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.7 p -117.85 35.02 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 73.54 110.824 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.47 145.08 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 73.21 111.165 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -120.94 101.68 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.823 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -140.43 89.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 64.24 111.088 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.52 79.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.816 -0.707 . . . . 64.22 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.38 110.55 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.41 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.2 m -54.44 -30.41 52.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 75.52 110.832 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.11 -28.43 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 70.24 110.867 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -69.57 -37.89 77.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.895 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.9 HD21 HD22 ' A' ' 25' ' ' LEU . 2.7 tt -66.44 -34.63 78.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.938 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.86 -30.07 61.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.858 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.38 79.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 61.43 111.153 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.83 -46.53 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.939 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.589 ' CD ' HD11 ' A' ' 25' ' ' LEU . 11.3 tt0 -53.39 -35.32 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.867 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -45.5 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 60.21 110.831 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.1 -29.8 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.916 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 36.51 4.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 72.23 112.543 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -122.97 29.97 6.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 72.23 110.901 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.667 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.9 pp -86.2 -37.19 18.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 51.21 110.81 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 82' ' ' LEU . 32.3 t0 -59.18 -63.25 1.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 53.41 110.841 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -20.33 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.88 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.3 tt -75.51 -52.11 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.891 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.6 pp -74.45 -16.6 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.987 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 -40.16 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 62.1 110.977 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 p -130.78 -46.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 65.41 111.154 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.68 103.95 2.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.42 112.452 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 71.24 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.931 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 40.22 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.83 147.49 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.1 110.82 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.581 HG22 HG23 ' B' ' 62' ' ' ILE . 19.4 t -94.93 133.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 65.53 111.119 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.86 149.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 54.23 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.65 HG13 HD13 ' B' ' 60' ' ' ILE . 12.5 tt -132.71 140.93 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.116 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.528 ' CD1' HD12 ' B' ' 36' ' ' ILE . 7.1 m-85 -89.91 104.27 16.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.12 148.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 75.23 111.112 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -59.48 160.65 12.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 72.02 110.839 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.76 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.696 2.264 . . . . 74.14 112.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.32 112.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 71.12 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 42.1 t 156.64 -44.71 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 C-N-CA 128.863 2.865 . . . . 71.54 116.148 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.67 -170.4 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 115.818 -2.321 . . . . 74.34 112.367 171.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -94.03 44.93 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 120.756 -1.215 . . . . 64.14 109.937 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.47 34.73 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.68 -0.637 . . . . 61.11 110.938 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.2 -35.15 21.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.112 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.96 -48.82 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 65.51 110.817 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.76 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 71.14 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.49 -29.45 67.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.939 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.09 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.1 111.099 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.876 HD22 HD21 ' B' ' 73' ' ' LEU . 0.5 OUTLIER -71.4 -49.53 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.991 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.86 -39.52 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.97 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.32 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 63.23 111.123 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.839 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.639 ' HD2' HD13 ' B' ' 82' ' ' LEU . 22.7 mtmm -94.77 10.36 35.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.896 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.5 20.03 43.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.86 169.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 53.2 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -103.95 159.8 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 54.53 110.941 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -160.56 164.52 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.925 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -137.87 130.81 30.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 53.22 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -94.59 136.59 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' B' ' 11' ' ' TYR . 59.6 mt -104.22 132.73 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 74.13 111.106 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.96 91.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.74 179.76 6.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 74.12 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.16 16.67 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.54 -5.48 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.24 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.401 HG23 HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -172.3 152.81 2.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.513 0.673 . . . . 62.43 111.177 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.96 22.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 74.51 112.331 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -66.65 -50.71 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 51.03 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.435 ' H ' HD22 ' B' ' 44' ' ' LEU . 1.8 mm? -83.94 -40.57 18.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.28 -28.61 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.82 -9.68 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 51.44 111.079 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.7 -35.34 45.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.2 mtp -90.86 -24.46 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.98 -19.79 64.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.29 -49.17 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.974 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.09 -60.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 62.31 110.911 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.46 -67.62 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.785 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.4 -59.2 3.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 40.01 112.481 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -73.56 -20.74 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 73.21 110.971 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 9.9 m120 58.71 29.11 18.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.28 1.032 . . . . 51.13 110.493 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.691 HG23 ' CD2' ' B' ' 57' ' ' PHE . 2.8 t -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 65.2 111.076 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.691 ' CD2' HG23 ' B' ' 56' ' ' THR . 1.5 p90 -141.24 157.6 66.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 73.43 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 71.12 112.382 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.6 117.97 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.961 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.65 HD13 HG13 ' B' ' 10' ' ' ILE . 24.8 mm -89.92 128.13 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.175 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.59 143.78 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.55 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.581 HG23 HG22 ' B' ' 8' ' ' VAL . 10.3 mt -145.32 111.85 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 63.22 111.197 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.58 -103.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 71.2 112.465 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -117.86 35.02 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 73.54 110.861 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -115.49 145.03 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.21 111.138 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -120.92 101.61 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 64.01 110.815 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -140.37 89.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 64.24 111.136 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.64 79.5 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 64.22 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.45 110.42 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 74.43 112.477 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 64.1 m -54.42 -30.31 52.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 75.52 110.927 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -76.2 -28.41 57.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 70.24 110.856 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.826 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.876 HD21 HD22 ' B' ' 25' ' ' LEU . 2.7 tt -66.41 -34.7 78.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 73.2 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.45 79.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.074 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.86 -46.5 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.591 ' CD ' HD11 ' B' ' 25' ' ' LEU . 11.4 tt0 -53.41 -35.3 60.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.5 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -45.56 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 60.21 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.16 -29.63 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.931 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.61 36.57 4.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -123.07 30.01 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.23 110.863 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.639 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.9 pp -86.21 -37.2 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.21 110.887 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.451 ' N ' HD12 ' B' ' 82' ' ' LEU . 32.0 t0 -59.14 -63.29 1.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 53.41 110.832 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -20.34 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.41 110.948 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.498 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.3 tt -75.59 -51.97 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 72.44 110.884 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.498 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.6 pp -74.53 -16.6 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.91 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -40.08 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.952 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -130.84 -47.02 1.03 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 65.41 111.077 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.75 103.92 2.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.76 . . . . 64.42 112.403 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 71.24 110.829 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.57 -23.62 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.96 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--O 1.248 0.975 0 N-CA-C 107.782 -1.192 . . . . 65.2 107.782 -176.629 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 65.11 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.86 131.33 54.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 71.34 110.865 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 62' ' ' ILE . 21.2 t -98.11 146.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 73.12 111.125 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 36' ' ' ILE . 3.1 mp -139.99 154.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 62.13 111.131 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.799 HG21 ' HE3' ' A' ' 23' ' ' LYS . 18.6 tt -142.35 140.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 73.01 111.096 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -89.75 109.67 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.557 HG23 ' HB3' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -154.5 151.18 28.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 71.03 111.176 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 32.5 mtt85 -84.3 154.52 63.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 62.53 110.909 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.28 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.707 2.271 . . . . 43.33 112.409 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 16' ' ' CYS . . . 77.34 96.61 0.2 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 50.25 112.507 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.79 ' HB3' ' HD3' ' A' ' 17' ' ' PRO 0.359 37.6 t 177.32 -68.88 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.202 1 O-C-N 115.755 -4.379 . . . . 70.0 100.486 -157.557 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -86.62 -174.8 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.102 1 C-N-CA 133.963 9.775 . . . . 51.03 112.376 -172.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -112.01 57.37 0.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 122.395 1.093 . . . . 64.04 112.215 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 12' ' ' THR . 26.8 p -92.13 45.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 119.565 -1.96 . . . . 72.12 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -44.46 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 73.01 111.121 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 31.4 mmt180 -62.11 -41.61 98.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 54.42 110.84 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.799 ' HE3' HG21 ' A' ' 10' ' ' ILE . 36.6 mmtm -64.28 -22.59 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 53.11 110.94 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -51.8 -41.06 61.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.132 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.795 HD22 HD21 ' A' ' 73' ' ' LEU . 3.6 tt -88.42 -46.5 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.75 -42.67 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.956 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.54 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 64.1 111.12 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -24.09 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 70.45 110.811 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HD3' HD13 ' A' ' 82' ' ' LEU . 2.0 mmpt? -93.35 -10.34 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.888 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.31 6.95 88.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.789 -0.719 . . . . 71.34 112.455 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 154.03 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 73.43 111.075 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.99 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.862 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 71.34 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -149.84 124.38 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -77.42 159.99 29.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.817 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 9' ' ' ILE . 81.7 mt -137.21 104.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 65.33 111.095 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.49 103.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 53.24 110.849 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.2 178.36 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 61.11 111.103 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.04 26.63 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 64.24 110.917 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.65 -34.04 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 74.33 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.568 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -136.39 147.54 60.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.499 0.666 . . . . 73.23 111.243 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -16.95 37.58 Favored 'Trans proline' 0 C--N 1.34 0.108 0 C-N-CA 122.734 2.289 . . . . 63.24 112.248 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -37.37 70.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 64.44 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' CG2' ' A' ' 41' ' ' THR . 24.6 mt -89.75 -50.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.04 110.849 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -52.35 -29.84 25.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.02 88.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.143 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -73.37 -42.8 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.885 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.0 ttp -71.4 -26.03 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.03 110.799 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.16 -26.62 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 72.31 110.927 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.99 -40.21 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 65.03 110.952 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.07 -26.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.2 m -52.21 140.85 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.858 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.1 -20.99 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.51 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.46 -39.82 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 75.32 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 57.98 41.99 23.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.237 -1.347 . . . . 73.1 110.722 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -105.0 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.946 -1.025 . . . . 75.33 111.202 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.79 157.39 52.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.772 0.796 . . . . 73.21 110.804 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.667 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.0 Cg_endo -69.61 172.31 12.73 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.666 2.244 . . . . 71.35 112.409 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -97.75 116.47 30.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CD1' HD12 ' A' ' 10' ' ' ILE . 40.9 mm -90.14 143.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.146 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.64 139.73 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.815 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.788 HD12 ' HA2' ' A' ' 89' ' ' GLY . 7.1 pt -146.51 117.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.069 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.69 -118.56 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.766 -0.73 . . . . 64.24 112.471 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -110.26 25.03 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 74.1 110.85 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.92 144.64 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.159 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.19 146.21 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.52 127.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 55.43 111.142 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.48 -52.72 31.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.814 -0.708 . . . . 71.41 112.459 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.64 -153.87 24.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 34.41 112.527 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -51.98 -36.21 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 62.15 110.895 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -49.16 68.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.897 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.55 -43.52 26.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.87 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.795 HD21 HD22 ' A' ' 25' ' ' LEU . 2.7 tt -55.31 -34.18 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -76.87 -41.81 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 61.45 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 52.31 111.077 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.504 HD12 HD13 ' A' ' 85' ' ' LEU . 68.3 mt -64.49 -39.58 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.526 ' OE1' HD22 ' A' ' 82' ' ' LEU . 12.0 tp10 -57.74 -29.47 64.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 64.05 110.896 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.05 -54.14 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 73.33 110.915 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.98 -26.12 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.38 34.56 6.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.771 -0.728 . . . . 50.42 112.539 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.51 26.42 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 62.22 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.529 HD13 ' HD3' ' A' ' 29' ' ' LYS . 4.3 pp -78.9 -36.31 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 54.1 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.502 ' N ' HD12 ' A' ' 82' ' ' LEU . 35.5 t70 -55.98 -55.55 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 75.53 110.852 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -61.77 -33.27 73.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -62.58 -55.89 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 54.43 110.943 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.58 -21.41 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 63.12 110.944 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -40.0 46.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.913 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -147.04 -42.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.32 111.107 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.788 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 119.65 112.06 2.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 63.54 112.394 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.36 130.34 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 73.31 110.915 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.1 110.95 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.774 0.321 . . . . 65.11 111.056 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.89 131.34 54.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 71.34 110.82 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.403 HG22 HG22 ' B' ' 62' ' ' ILE . 21.1 t -98.06 146.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.124 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.663 HG21 HD11 ' B' ' 36' ' ' ILE . 3.1 mp -140.04 154.1 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 62.13 111.121 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.788 HG21 ' HE3' ' B' ' 23' ' ' LYS . 18.6 tt -142.22 140.78 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.149 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 74.03 110.94 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.575 HG23 ' HB3' ' B' ' 58' ' ' PRO . 0.1 OUTLIER -154.53 151.13 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.208 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.403 ' HB3' ' HD2' ' B' ' 14' ' ' PRO . 32.6 mtt85 -84.34 154.57 63.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 62.53 110.874 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 13' ' ' ARG . 53.9 Cg_endo -69.71 78.28 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.733 2.289 . . . . 43.33 112.355 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.35 102.85 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 50.25 112.484 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 16' ' ' CYS 0.315 37.2 t 162.24 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 C-N-CA 129.261 3.024 . . . . 70.0 116.412 174.022 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -63.44 -172.0 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.427 -2.582 . . . . 51.03 112.327 176.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -117.04 58.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 124.178 0.991 . . . . 64.04 110.437 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.51 ' SG ' HG21 ' B' ' 12' ' ' THR . 26.8 p -93.03 45.56 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.082 -1.011 . . . . 72.12 110.949 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -44.46 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.01 111.102 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 31.3 mmt180 -62.14 -41.63 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 54.42 110.857 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.29 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.788 ' HE3' HG21 ' B' ' 10' ' ' ILE . 36.7 mmtm -64.29 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 53.11 110.859 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' B' ' 21' ' ' ARG . . . -51.7 -41.15 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.063 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.791 HD22 HD21 ' B' ' 73' ' ' LEU . 3.6 tt -88.42 -46.42 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.997 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.71 -42.73 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.51 111.011 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.5 71.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 64.1 111.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -24.01 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.828 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.525 ' HD3' HD13 ' B' ' 82' ' ' LEU . 2.0 mmpt? -93.44 -10.39 35.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.956 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.43 6.89 88.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 71.34 112.476 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.39 154.07 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.739 0.304 . . . . 73.43 111.119 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.88 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.938 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.898 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -149.88 124.33 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.52 110.925 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -77.3 159.99 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.873 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.663 HD11 HG21 ' B' ' 9' ' ' ILE . 81.9 mt -137.25 104.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 65.33 111.107 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.43 103.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 53.24 110.929 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.11 178.27 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 61.11 111.085 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.11 26.54 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.56 -34.07 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.33 111.072 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.572 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -136.37 147.61 60.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 73.23 111.165 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -17.05 37.55 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 63.24 112.215 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.75 -37.38 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 64.44 110.917 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.572 HD12 ' CG2' ' B' ' 41' ' ' THR . 24.4 mt -89.68 -50.6 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -52.39 -29.88 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.931 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.99 88.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 72.11 111.052 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -73.34 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 12.1 ttp -71.41 -26.03 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.03 110.809 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.06 -26.63 68.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 72.31 110.911 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -69.98 -40.32 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 65.03 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.08 -26.32 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 75.41 110.836 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.6 m -52.01 140.84 19.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.903 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.07 -21.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 72.33 112.508 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.47 -39.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 75.32 110.865 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 54.75 44.73 28.04 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.914 1.285 . . . . 73.1 110.746 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -105.25 -60.2 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.389 -1.278 . . . . 75.33 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.73 157.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.21 110.866 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.668 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.2 Cg_endo -69.72 172.32 12.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.645 2.23 . . . . 71.35 112.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -97.73 116.34 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.921 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.49 ' CD1' HD12 ' B' ' 10' ' ' ILE . 40.9 mm -90.01 143.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.138 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.69 139.67 42.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.809 HD12 ' HA2' ' B' ' 89' ' ' GLY . 7.1 pt -146.55 117.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.53 111.115 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.89 -118.66 7.5 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.694 -0.765 . . . . 64.24 112.457 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -110.24 25.06 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.1 110.907 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.2 t -117.89 144.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 74.32 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.14 146.21 26.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.854 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.52 127.92 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 55.43 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.49 -52.61 32.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 71.41 112.486 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.59 -153.92 24.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.753 . . . . 34.41 112.476 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -51.94 -36.26 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 62.15 110.867 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -49.25 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 75.02 110.819 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.49 -43.54 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.44 110.937 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.791 HD21 HD22 ' B' ' 25' ' ' LEU . 2.7 tt -55.24 -34.3 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 62.13 110.95 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.85 -41.83 42.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 61.45 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.71 -41.47 67.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 52.31 111.124 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.5 HD12 HD13 ' B' ' 85' ' ' LEU . 67.9 mt -64.38 -39.73 94.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' B' ' 25' ' ' LEU . 12.0 tp10 -57.63 -29.52 64.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 64.05 110.88 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.04 -54.16 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 73.33 110.858 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.96 -26.09 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.861 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.32 34.63 6.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 50.42 112.502 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.62 26.42 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 62.22 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.528 HD22 ' OE1' ' B' ' 77' ' ' GLU . 4.3 pp -78.83 -36.35 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 54.1 110.956 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.495 ' N ' HD12 ' B' ' 82' ' ' LEU . 35.5 t70 -56.03 -55.51 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.874 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -61.7 -33.29 73.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.877 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.5 HD13 HD12 ' B' ' 76' ' ' LEU . 0.5 OUTLIER -62.61 -55.89 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 54.43 110.969 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.49 -21.44 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.947 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -40.1 46.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.931 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -146.99 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.809 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 119.64 111.95 2.38 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.702 -0.761 . . . . 63.54 112.465 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.33 130.36 30.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.31 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.539 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.8 OUTLIER -80.15 -31.39 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 71.1 110.9 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.473 0.699 0 O-C-N 117.595 -3.191 . . . . 74.33 108.673 -170.696 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.79 0.328 . . . . 64.2 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -143.24 128.86 19.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.02 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.7 150.36 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.154 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.726 HG21 HD11 ' A' ' 36' ' ' ILE . 3.3 mp -139.63 153.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.235 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.601 HD13 ' HE3' ' A' ' 23' ' ' LYS . 11.1 tt -132.65 136.49 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.141 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.8 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.956 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.14 152.77 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.02 111.098 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.966 HH12 ' HA ' ' B' ' 16' ' ' CYS . 1.8 mtt180 -66.43 160.12 68.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 75.43 110.853 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 87.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 44.33 112.266 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.8 97.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 50.14 112.51 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.024 ' C ' HH12 ' B' ' 13' ' ' ARG . 0.0 OUTLIER -177.6 -110.79 0.0 OUTLIER Pre-proline 1 N--CA 1.374 -4.27 2 N-CA-C 86.928 -8.916 . . . . 73.01 86.928 -176.219 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.699 ' N ' HH12 ' B' ' 13' ' ' ARG . 53.1 Cg_endo -34.24 -176.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 1 C-N-CA 135.025 10.484 . . . . 73.45 112.279 -161.741 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.52 -77.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 115.564 -2.16 . . . . 62.24 111.34 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.74 47.13 0.15 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 125.021 1.328 . . . . 62.22 110.902 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -42.49 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.52 111.109 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.5 -47.13 80.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 73.5 110.94 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.87 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.14 111.126 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HE3' HD13 ' A' ' 10' ' ' ILE . 25.7 mmtp -63.97 -45.71 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.852 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -60.36 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 52.35 111.103 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.622 HD11 ' HG2' ' A' ' 77' ' ' GLU . 21.8 tp -51.82 -53.88 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.908 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 33' ' ' PHE . 17.9 mt -58.18 -22.47 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.902 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.89 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 70.52 111.1 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.41 -35.56 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.848 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -107.96 16.28 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.05 110.868 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.41 20.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 54.52 112.425 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.01 156.77 39.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 74.14 111.05 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.23 157.79 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.706 ' HB3' HD13 ' A' ' 26' ' ' LEU . 24.0 p90 -170.23 153.45 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.894 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.53 127.12 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.35 155.65 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.726 HD11 HG21 ' A' ' 9' ' ' ILE . 77.7 mt -130.34 124.57 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 61.12 111.14 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.45 98.1 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.951 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.58 179.22 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.036 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.31 26.35 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.43 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.52 -35.93 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.01 111.162 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.94 147.58 63.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.727 . . . . 74.14 111.158 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.72 -14.63 36.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.276 . . . . 75.14 112.369 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.35 -48.51 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.7 -57.87 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.958 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 16.5 ptm180 -53.49 -28.32 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -71.29 -36.46 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 61.52 111.159 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.0 -49.04 40.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.979 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.39 -20.34 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 63.33 110.8 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -63.5 -53.48 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 73.25 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.42 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.862 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.26 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.832 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -51.94 163.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 65.22 110.845 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.92 117.1 3.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.504 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.93 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 51.02 110.902 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.46 49.18 0.81 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 74.0 111.9 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.698 HG23 ' CD2' ' A' ' 57' ' ' PHE . 3.6 t -94.49 -26.91 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 120.976 -1.078 . . . . 71.45 111.14 -176.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.698 ' CD2' HG23 ' A' ' 56' ' ' THR . 1.7 p90 -138.86 157.35 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.691 0.758 . . . . 75.42 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.22 3.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.813 2.342 . . . . 74.01 112.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.92 125.14 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.87 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.009 HG21 HD13 ' A' ' 73' ' ' LEU . 41.3 mm -96.5 115.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.125 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.18 117.31 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.635 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.9 pt -114.22 95.44 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.1 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.05 -97.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.505 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.2 38.81 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 72.22 110.855 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -139.4 143.05 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.53 111.182 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.45 145.76 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.9 t -135.41 138.13 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 63.24 111.111 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.14 -48.14 40.14 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 70.35 112.555 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.17 -155.81 26.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 63.14 112.507 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -52.06 -29.95 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 75.5 110.93 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.59 -54.35 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 51.11 110.796 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.42 -41.64 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 74.15 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.009 HD13 HG21 ' A' ' 60' ' ' ILE . 3.6 tp -52.0 -29.87 22.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.914 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -37.95 29.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.9 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 70.11 111.11 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.95 -42.26 75.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.622 ' HG2' HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.09 -30.43 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 70.43 110.964 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.02 -41.48 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.926 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -70.08 -29.84 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.2 33.39 3.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 62.15 112.524 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 64.23 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 77' ' ' GLU . 3.1 pp -87.42 -38.06 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.63 -59.91 3.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.851 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.6 -26.37 67.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.76 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.635 ' HG ' HG21 ' A' ' 62' ' ' ILE . 2.6 tt -68.68 -42.14 78.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.939 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 86' ' ' LEU . 4.6 pp -89.83 -15.03 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.909 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.98 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 63.2 110.929 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.0 p -145.53 -52.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.25 111.132 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 41.34 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 63.02 112.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.26 137.86 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 74.32 110.942 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.975 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.809 0.338 . . . . 64.2 111.098 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -143.23 128.92 19.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.509 . . . . 61.02 110.935 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.82 150.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.116 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.707 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -139.69 153.23 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.45 111.085 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.614 HD13 ' HE3' ' B' ' 23' ' ' LYS . 11.2 tt -132.75 136.47 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.84 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.19 152.71 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.133 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 1.024 HH12 ' C ' ' A' ' 16' ' ' CYS . 1.8 mtt180 -66.31 160.07 67.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 75.43 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 87.72 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.732 2.288 . . . . 44.33 112.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.7 95.3 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.695 -0.764 . . . . 50.14 112.473 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.966 ' HA ' HH12 ' A' ' 13' ' ' ARG 0.273 0.8 OUTLIER -173.05 -66.93 0.0 OUTLIER Pre-proline 0 N--CA 1.408 -2.54 0 C-N-CA 116.039 -2.264 . . . . 73.01 108.968 -169.859 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' B' ' 16' ' ' CYS . 53.0 Cg_endo -75.64 -174.66 2.1 Favored 'Trans proline' 0 C--O 1.231 0.145 1 C-N-CA 130.695 7.597 . . . . 73.45 112.27 -179.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 114.584 -2.626 . . . . 62.24 110.746 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.57 47.1 0.14 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 121.251 1.841 . . . . 62.22 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -42.42 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.48 -47.22 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' B' ' 10' ' ' ILE . . . -57.01 -53.97 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.069 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.614 ' HE3' HD13 ' B' ' 10' ' ' ILE . 25.6 mmtp -63.9 -45.72 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.879 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.69 -60.34 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 52.35 111.089 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.604 HD11 ' HG2' ' B' ' 77' ' ' GLU . 21.8 tp -51.88 -53.71 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.954 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' B' ' 33' ' ' PHE . 17.8 mt -58.32 -22.38 52.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.891 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.6 -20.03 25.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.52 111.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.29 -35.67 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.799 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -107.86 16.17 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 71.05 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.84 27.42 20.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 54.52 112.506 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.69 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 74.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.1 157.75 22.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.709 ' HB3' HD13 ' B' ' 26' ' ' LEU . 23.8 p90 -170.18 153.54 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.941 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.55 127.08 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 65.51 110.935 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.33 155.65 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.96 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.707 HD11 HG21 ' B' ' 9' ' ' ILE . 77.7 mt -130.27 124.56 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.286 -0.415 . . . . 61.12 111.15 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -82.51 98.09 8.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.963 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.47 179.24 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.195 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.32 26.36 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 54.43 110.799 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.46 -36.12 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 64.01 111.167 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.92 147.59 63.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 74.14 111.115 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 54.0 Cg_endo -69.7 -14.69 36.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 75.14 112.384 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.33 -48.58 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.65 -57.87 7.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 16.5 ptm180 -53.45 -28.38 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 62.32 110.903 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -71.24 -36.56 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 61.52 111.071 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.99 -49.06 40.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.27 -20.39 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 63.33 110.859 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -63.45 -53.54 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.38 -36.15 82.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.912 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.15 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.14 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -51.94 163.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 65.22 110.876 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.04 117.02 3.01 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.665 -0.779 . . . . 72.02 112.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.91 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 51.02 110.893 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.94 47.6 0.87 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.527 0.936 . . . . 74.0 113.527 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.696 HG23 ' CD2' ' B' ' 57' ' ' PHE . 3.7 t -90.4 -26.88 19.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.453 . . . . 71.45 111.186 -175.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.696 ' CD2' HG23 ' B' ' 56' ' ' THR . 1.7 p90 -138.89 157.27 71.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 75.42 110.928 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.24 3.83 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.777 2.318 . . . . 74.01 112.325 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.93 125.09 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.872 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.966 HG21 HD13 ' B' ' 73' ' ' LEU . 41.4 mm -96.53 115.76 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.24 111.153 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.14 117.32 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.898 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.635 HG21 ' HG ' ' B' ' 85' ' ' LEU . 2.9 pt -114.22 95.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.1 111.076 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.16 -97.53 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 73.11 112.437 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.26 38.8 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 72.22 110.827 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 89.2 t -139.38 143.06 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 72.53 111.163 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.38 145.73 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.36 138.18 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 63.24 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.29 -48.11 41.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 70.35 112.456 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.82 26.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.683 -0.77 . . . . 63.14 112.426 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -51.93 -30.06 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 75.5 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.5 -54.48 36.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 51.11 110.747 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -81.37 -41.68 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 74.15 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.966 HD13 HG21 ' B' ' 60' ' ' ILE . 3.6 tp -52.0 -29.78 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 71.54 110.922 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.73 -37.88 29.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.11 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.96 -42.19 75.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 70.31 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.604 ' HG2' HD11 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -59.12 -30.49 68.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.879 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.03 -41.46 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 72.43 110.913 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -70.0 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.15 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.25 33.43 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 62.15 112.483 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -116.73 29.98 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 64.23 110.779 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' B' ' 77' ' ' GLU . 3.1 pp -87.45 -38.02 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.77 -59.8 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.63 -26.35 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 70.43 110.776 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.635 ' HG ' HG21 ' B' ' 62' ' ' ILE . 2.6 tt -68.68 -42.08 78.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.956 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.408 ' C ' HD12 ' B' ' 86' ' ' LEU . 4.6 pp -89.89 -15.0 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.944 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.97 20.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 63.2 110.932 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -145.6 -52.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 64.25 111.067 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.36 41.19 7.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 63.02 112.556 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.2 138.02 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 74.32 110.895 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.6 -18.22 54.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 64.13 110.945 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--O 1.249 1.046 0 N-CA-C 107.755 -1.202 . . . . 75.15 107.755 173.077 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 88' ' ' THR . 30.6 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.865 0.364 . . . . 73.44 111.048 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.86 143.88 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.22 110.851 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.795 HG22 HG23 ' A' ' 62' ' ' ILE . 20.7 t -86.31 134.52 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.105 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -135.01 148.23 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.52 111.186 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.698 HD11 ' CG ' ' A' ' 58' ' ' PRO . 19.8 tt -133.36 134.31 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.187 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.441 ' CD1' HD12 ' A' ' 36' ' ' ILE . 19.9 m-85 -97.32 100.28 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 62.5 110.934 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.77 173.79 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 60.42 111.089 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.83 159.6 34.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.734 . . . . 74.13 110.899 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.78 36.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 51.54 112.32 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.59 116.05 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 70.44 112.475 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 159.5 -51.18 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 127.596 2.359 . . . . 43.43 113.639 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.97 -171.78 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 119.073 0.705 . . . . 62.43 112.349 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.25 39.46 0.72 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.377 1.084 . . . . 62.54 112.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.19 -11.59 32.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.327 -1.483 . . . . 63.13 110.885 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.6 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 62.35 111.108 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.46 -59.18 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.64 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 72.1 111.071 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.672 ' HE3' HG21 ' A' ' 10' ' ' ILE . 34.8 mmtm -67.88 -35.05 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 53.21 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 52.45 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD23 ' HG ' ' A' ' 73' ' ' LEU . 16.6 tp -56.07 -45.48 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 31.34 110.92 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 31' ' ' ALA . 14.4 mt -55.99 -25.5 44.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.886 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.1 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 111.133 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.28 -24.14 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.881 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.771 ' HD2' HD13 ' A' ' 82' ' ' LEU . 11.0 pttt -117.56 17.59 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 70.52 110.944 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.82 22.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 42.22 112.538 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -70.08 170.02 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 72.21 111.087 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.98 159.76 15.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.92 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -168.63 159.82 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 63.54 110.904 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.5 120.7 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.89 154.97 24.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' A' ' 11' ' ' TYR . 71.3 mt -132.78 115.98 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 70.24 111.183 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.68 109.87 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.41 110.923 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.51 179.94 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 52.41 111.081 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.18 27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 -33.95 3.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.137 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.95 147.61 64.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 74.14 111.189 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.77 -15.55 37.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 71.42 112.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.15 -55.95 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 63.52 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 7.9 ptm180 -52.19 -33.85 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.828 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.31 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.055 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.68 -59.55 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 73.5 110.823 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.15 -26.82 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 64.53 110.843 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.13 -26.06 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 44.2 110.851 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -52.16 -54.78 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.922 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -74.77 -57.99 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.22 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 t 60.44 46.24 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.841 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.31 -149.57 24.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 63.41 112.508 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.27 170.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 74.32 110.852 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -131.34 22.34 4.78 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 122.931 0.492 . . . . 74.42 111.053 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -52.86 12.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.833 0.349 . . . . 72.25 111.116 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.38 158.15 47.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.735 0.778 . . . . 72.14 110.858 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.698 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.3 Cg_endo -69.77 176.31 6.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 71.35 112.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.32 111.44 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.976 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 10' ' ' ILE . 37.7 mm -91.82 144.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.111 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.7 139.82 31.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.795 HG23 HG22 ' A' ' 8' ' ' VAL . 5.1 mt -144.13 98.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.35 111.113 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' VAL . . . 52.12 72.27 0.54 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.475 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.68 55.52 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 74.4 110.868 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 63' ' ' GLY . 56.6 t -140.03 104.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.157 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.83 110.24 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 61.31 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 127.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 53.44 111.211 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.15 -45.96 27.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 62.45 112.455 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.14 -151.52 23.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 72.15 112.459 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.22 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 54.25 110.889 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -49.85 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 70.54 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -80.8 -44.04 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 65.43 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.475 ' HG ' HD23 ' A' ' 25' ' ' LEU . 11.9 tp -51.79 -42.1 62.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 52.22 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.06 -40.82 60.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.35 -52.41 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 64.13 111.006 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.71 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 71.43 110.886 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.9 -41.52 98.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 70.13 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.4 -52.97 62.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.31 -30.03 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.875 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.0 49.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 73.12 112.533 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.05 29.94 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 74.34 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.7 pp -88.95 -37.03 15.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.964 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' N ' HD12 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -55.48 -60.92 2.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 70.1 110.847 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -65.98 -22.19 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 65.11 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 62' ' ' ILE . 1.1 tt -69.65 -51.37 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.914 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.4 pp -75.33 -9.93 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.879 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -40.1 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.55 110.877 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.623 ' O ' HG21 ' A' ' 6' ' ' VAL . 2.0 t -140.94 -41.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 51.44 111.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.27 109.43 2.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 64.11 112.508 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -144.63 139.07 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 73.22 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 62.2 110.947 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 88' ' ' THR . 30.3 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.959 0.409 . . . . 73.44 111.023 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.88 143.89 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 71.22 110.844 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.789 HG22 HG23 ' B' ' 62' ' ' ILE . 21.0 t -86.34 134.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 71.34 111.1 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.95 148.25 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 73.52 111.168 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.703 HD11 ' CG ' ' B' ' 58' ' ' PRO . 19.8 tt -133.34 134.33 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.131 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.443 ' CD1' HD12 ' B' ' 36' ' ' ILE . 19.9 m-85 -97.35 100.24 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 62.5 110.9 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.73 173.73 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 60.42 111.125 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.76 159.51 34.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 74.13 110.968 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.63 36.35 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 51.54 112.369 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.56 116.34 0.39 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.79 -0.719 . . . . 70.44 112.49 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.45 ' SG ' ' HD3' ' B' ' 17' ' ' PRO 0.256 25.1 p 154.11 -39.34 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 129.225 3.01 . . . . 43.43 116.581 173.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . 0.45 ' HD3' ' SG ' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.27 -172.02 0.58 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 117.13 -1.447 . . . . 62.43 112.331 170.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -86.97 49.0 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.468 1.127 . . . . 62.54 110.819 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.81 -11.51 20.71 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.095 -1.003 . . . . 63.13 110.909 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.56 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 62.35 111.035 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.52 -59.2 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 64.3 110.812 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.67 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.683 ' HE3' HG21 ' B' ' 10' ' ' ILE . 34.9 mmtm -67.93 -35.09 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 53.21 110.848 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.62 -64.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 52.45 111.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.476 HD23 ' HG ' ' B' ' 73' ' ' LEU . 16.7 tp -56.02 -45.47 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 31.34 110.914 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' B' ' 31' ' ' ALA . 14.4 mt -56.06 -25.43 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 70.42 110.866 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.98 -20.1 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.225 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.37 -24.12 57.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.768 ' HD2' HD13 ' B' ' 82' ' ' LEU . 11.1 pttt -117.51 17.59 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 70.52 110.903 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.14 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.751 . . . . 42.22 112.49 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' B' ' 29' ' ' LYS . . . -70.08 170.04 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 72.21 111.053 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -104.96 159.75 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.97 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -168.63 159.78 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 63.54 110.801 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.42 120.71 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.88 155.06 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.906 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' B' ' 11' ' ' TYR . 71.7 mt -132.81 115.95 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 70.24 111.136 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.77 110.0 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.853 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.58 179.98 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 52.41 111.042 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.17 26.97 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.86 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 72.54 111.082 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.97 147.64 64.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 74.14 111.169 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 52.8 Cg_endo -69.87 -15.55 36.73 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 71.42 112.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.94 -42.69 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.892 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.15 -56.07 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 63.52 110.888 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 ptm180 -52.09 -33.9 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.45 110.81 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.29 94.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.128 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.71 -59.39 4.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 61.7 mtp -63.32 -26.75 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.53 110.845 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -68.11 -25.98 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 44.2 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.15 -54.76 26.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -74.82 -58.02 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.849 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t 60.52 46.2 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 61.33 110.796 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.3 -149.59 24.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.23 169.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 74.32 110.846 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.97 26.66 4.6 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.994 -0.441 . . . . 74.42 111.362 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -52.83 11.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.839 0.352 . . . . 72.25 111.155 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.36 158.04 47.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 72.14 110.955 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.703 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.8 Cg_endo -69.63 176.33 6.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 71.35 112.339 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.33 111.51 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.402 ' CD1' HD12 ' B' ' 10' ' ' ILE . 37.9 mm -91.84 144.77 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.096 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.68 139.82 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 75.33 110.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.789 HG23 HG22 ' B' ' 8' ' ' VAL . 5.2 mt -144.02 98.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 65' ' ' VAL . . . 52.03 72.36 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.822 -0.704 . . . . 70.43 112.53 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.57 55.59 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 74.4 110.946 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 63' ' ' GLY . 56.1 t -140.07 104.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 72.31 111.125 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.93 110.23 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.895 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.06 127.8 70.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.474 . . . . 53.44 111.137 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.07 -46.02 26.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.814 -0.708 . . . . 62.45 112.475 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.12 -151.54 23.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 72.15 112.476 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.18 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 54.25 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -49.9 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 70.54 110.837 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -80.73 -44.07 19.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.852 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.476 ' HG ' HD23 ' B' ' 25' ' ' LEU . 11.8 tp -51.84 -42.04 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 52.22 110.915 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.0 -40.9 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 73.24 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.46 59.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 64.13 111.05 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.7 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.904 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.83 -41.48 97.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 70.13 110.943 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.46 -52.92 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 62.14 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -63.43 -29.86 71.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.935 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.98 49.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 73.12 112.534 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.14 29.97 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 74.34 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.7 pp -89.04 -37.12 15.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.89 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -60.96 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 70.1 110.882 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -66.07 -22.19 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.805 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.603 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.1 tt -69.68 -51.23 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.957 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.603 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.4 pp -75.4 -9.91 58.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.924 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.42 -40.09 16.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 65.55 110.868 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.624 ' O ' HG21 ' B' ' 6' ' ' VAL . 2.0 t -140.9 -41.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 51.44 111.206 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.34 109.48 2.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.664 -0.779 . . . . 64.11 112.426 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -144.65 138.98 27.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 73.22 110.962 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -18.62 23.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 62.2 110.919 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.242 0.709 0 N-CA-C 107.004 -1.48 . . . . 70.32 107.004 178.596 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 88' ' ' THR . 2.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.769 0.319 . . . . 62.44 111.161 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.21 138.42 54.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 52.13 110.907 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 62' ' ' ILE . 16.5 t -79.82 140.24 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.115 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.66 146.15 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.122 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.659 HG21 ' CE ' ' A' ' 23' ' ' LYS . 13.0 tt -144.57 133.85 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.124 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -89.96 101.4 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.44 110.907 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -176.08 160.07 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 65.3 111.153 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -69.0 159.81 81.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 63.31 110.802 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.73 24.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 52.22 112.315 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.46 105.65 0.18 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.709 -0.758 . . . . 51.02 112.439 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.453 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 37.3 t 166.51 -51.16 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 127.137 2.175 . . . . 73.43 113.915 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -72.13 -170.71 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 O-C-N 121.829 0.384 . . . . 62.41 112.405 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -92.76 38.13 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.78 0.8 . . . . 71.34 111.303 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.85 30.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 120.984 -1.073 . . . . 64.45 110.832 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.88 33.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 53.14 111.102 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -68.2 -61.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.21 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -51.22 -40.64 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 75.22 111.045 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.659 ' CE ' HG21 ' A' ' 10' ' ' ILE . 23.1 mmtp -74.01 -34.61 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 65.31 111.058 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD23 ' CD1' ' A' ' 73' ' ' LEU . 8.4 tp -70.46 -51.21 30.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 54.23 110.907 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 33' ' ' PHE . 9.2 mt -53.02 -32.45 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.23 110.906 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.72 70.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.031 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -39.2 57.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.858 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HE2' HD22 ' A' ' 82' ' ' LEU . 9.3 ptpt -90.02 10.6 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.61 22.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 63.41 112.555 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -75.59 149.23 38.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 61.12 111.034 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -99.25 118.86 36.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 26' ' ' LEU . 20.0 p90 -118.86 177.85 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.827 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.11 113.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 63.35 110.76 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.42 141.02 37.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 75.23 110.897 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.779 HG21 HD22 ' A' ' 44' ' ' LEU . 67.8 mt -116.92 119.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 73.22 111.088 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.19 102.96 9.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 75.41 110.893 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.34 -179.91 7.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 63.04 111.093 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.78 24.21 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 61.31 110.856 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.26 13.15 4.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 62.01 111.129 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.691 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -178.12 147.24 0.59 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 73.51 111.163 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.59 37.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.229 . . . . 52.32 112.306 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.39 -44.66 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.23 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.779 HD22 HG21 ' A' ' 36' ' ' ILE . 8.3 mt -90.07 -46.99 8.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.901 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -52.07 -33.58 39.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.829 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.14 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.119 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.37 -51.05 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 64.3 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.2 mmm -63.78 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 72.1 110.947 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.66 -25.73 68.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.846 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -52.09 -44.54 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.83 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.51 -59.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 64.53 110.911 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.92 33.72 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.05 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.85 -161.65 5.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.789 -0.72 . . . . 45.52 112.446 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.905 HH22 HH12 ' B' ' 21' ' ' ARG . 12.1 mmt180 -59.06 179.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 72.52 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' HB3' ' CD1' ' B' ' 18' ' ' TYR 0.292 0.1 OUTLIER -95.26 50.88 1.28 Allowed 'General case' 0 N--CA 1.479 0.992 0 O-C-N 118.429 -2.669 . . . . 73.11 109.969 -179.733 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.8 p -70.72 -172.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 113.861 -1.518 . . . . 70.04 111.166 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.5 156.88 1.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.734 0.778 . . . . 72.41 110.846 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.4 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.2 Cg_endo -69.85 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 65.34 112.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.47 112.98 26.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 65.1 110.863 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.806 HG21 HD23 ' A' ' 73' ' ' LEU . 32.7 mm -89.86 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.079 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.727 ' O ' HD13 ' A' ' 62' ' ' ILE . 2.9 m-85 -142.91 131.74 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.89 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.806 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.5 mm -129.67 104.04 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.11 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.418 ' CA ' HG11 ' A' ' 6' ' ' VAL . . . 66.82 -89.09 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 73.23 112.533 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.27 24.55 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.943 0.401 . . . . 74.23 110.895 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 62' ' ' ILE . 8.0 p -107.27 149.71 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 73.15 111.119 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.84 124.47 48.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.3 110.89 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 69' ' ' GLY . 96.0 t -124.33 123.55 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 70.22 111.153 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.94 -37.42 35.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.713 -0.756 . . . . 51.44 112.468 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 154.98 -146.2 13.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 62.51 112.452 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -58.29 -22.74 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 75.1 110.844 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.89 -59.1 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.823 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.09 -35.11 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 44.55 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 60' ' ' ILE . 1.8 tm? -51.74 -46.02 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.854 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -77.04 -28.32 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 75.23 110.839 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.69 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.23 111.131 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 81' ' ' LYS . 91.7 mt -59.99 -39.61 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.578 ' HB2' HD21 ' A' ' 25' ' ' LEU . 8.9 tp10 -59.39 -36.54 76.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 74.53 110.832 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.65 -56.41 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.807 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.14 -21.04 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.23 21.46 35.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 75.02 112.496 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HB2' HD22 ' A' ' 76' ' ' LEU . 3.3 mmtt -77.27 -14.85 59.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 75.41 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.574 HD22 ' HE2' ' A' ' 29' ' ' LYS . 2.4 pp -50.75 -36.34 36.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.3 -65.03 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 71.44 110.936 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.15 -17.75 63.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.806 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.8 tt -74.72 -51.81 13.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.939 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.577 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -75.24 -9.84 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 53.3 110.862 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.53 -40.2 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 70.11 110.868 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.7 t -139.53 -41.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.03 111.157 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 65.35 1.41 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 65.01 112.554 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.15 149.35 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 62.41 110.822 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 74.54 110.934 179.867 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 88' ' ' THR . 2.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.889 0.376 . . . . 62.44 111.075 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.29 138.37 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 52.13 110.781 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.716 HG13 ' CD1' ' B' ' 62' ' ' ILE . 16.5 t -79.85 140.33 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 75.33 111.141 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.73 146.11 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.652 HG21 ' CE ' ' B' ' 23' ' ' LYS . 12.9 tt -144.49 133.72 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -89.95 101.41 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.92 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -176.08 160.09 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 65.3 111.122 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -68.81 159.81 80.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 63.31 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.602 2.202 . . . . 52.22 112.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.44 105.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 51.02 112.469 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.17 -53.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.547 0 C-N-CA 127.019 2.128 . . . . 73.43 112.364 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.37 -169.7 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 118.452 0.483 . . . . 62.41 112.423 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 3.2 m-85 -100.87 46.36 0.95 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.528 1.156 . . . . 71.34 109.022 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.89 30.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.998 -1.001 . . . . 64.45 110.84 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.86 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 53.14 111.118 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.905 HH12 HH22 ' A' ' 54' ' ' ARG . 13.1 mmt85 -68.32 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 65.21 110.908 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.423 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -51.32 -40.6 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.018 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.652 ' CE ' HG21 ' B' ' 10' ' ' ILE . 23.1 mmtp -74.01 -34.58 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 65.31 111.143 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.722 HD23 ' CD1' ' B' ' 73' ' ' LEU . 8.5 tp -70.39 -51.23 31.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 54.23 110.981 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' B' ' 33' ' ' PHE . 9.2 mt -53.12 -32.4 47.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.7 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.093 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.81 -39.2 57.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 65.23 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.579 ' HE2' HD22 ' B' ' 82' ' ' LEU . 9.2 ptpt -90.06 10.76 22.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.57 22.19 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.754 -0.736 . . . . 63.41 112.514 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.526 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -75.55 149.25 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 61.12 111.07 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -99.15 118.75 36.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 74.33 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.561 ' CD2' HD13 ' B' ' 26' ' ' LEU . 20.0 p90 -118.82 177.92 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.806 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.17 113.47 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.765 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.33 140.91 37.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 75.23 110.954 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.771 HG21 HD22 ' B' ' 44' ' ' LEU . 67.1 mt -116.84 119.35 61.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 73.22 111.154 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.11 103.02 9.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 75.41 110.839 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.38 -179.9 7.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 63.04 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.87 24.13 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.772 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.19 13.0 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 62.01 111.16 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.69 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -178.03 147.3 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 73.51 111.142 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.67 37.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 52.32 112.324 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.35 -44.72 58.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.883 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.771 HD22 HG21 ' B' ' 36' ' ' ILE . 8.2 mt -90.01 -46.98 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.935 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -51.96 -33.58 38.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.23 95.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.23 111.091 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.3 -51.06 40.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.9 mmm -63.75 -32.45 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.1 110.917 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.57 -25.89 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.804 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.92 -44.56 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.58 -59.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 64.53 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.91 33.75 12.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 72.05 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.83 -161.69 5.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 45.52 112.537 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.0 -179.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 72.52 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -76.79 34.99 0.15 Allowed 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 126.977 2.111 . . . . 73.11 114.801 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -79.08 -172.81 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 120.936 -1.102 . . . . 70.04 111.193 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.37 156.76 1.91 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 72.41 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.752 2.301 . . . . 65.34 112.358 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.37 113.0 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 65.1 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.771 HG21 HD23 ' B' ' 73' ' ' LEU . 32.8 mm -89.95 141.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 71.24 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.73 ' O ' HD13 ' B' ' 62' ' ' ILE . 2.9 m-85 -142.95 131.74 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.894 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.804 HG21 ' HG ' ' B' ' 85' ' ' LEU . 2.5 mm -129.7 104.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 74.11 111.064 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.413 ' CA ' HG11 ' B' ' 6' ' ' VAL . . . 66.93 -89.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.681 -0.771 . . . . 73.23 112.5 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.25 24.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 74.23 110.82 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.677 HG12 ' O ' ' B' ' 62' ' ' ILE . 8.0 p -107.3 149.65 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.114 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.7 124.44 48.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.872 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.487 HG12 ' H ' ' B' ' 69' ' ' GLY . 96.8 t -124.43 123.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 70.22 111.1 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -37.45 35.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 51.44 112.523 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.487 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 155.0 -146.14 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 62.51 112.521 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 39.8 t -58.28 -22.71 53.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 75.1 110.827 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.9 -59.1 4.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.85 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.94 -35.26 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 44.55 110.849 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.771 HD23 HG21 ' B' ' 60' ' ' ILE . 1.8 tm? -51.84 -45.9 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.907 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.03 -28.33 54.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.918 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.79 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.045 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' B' ' 81' ' ' LYS . 91.8 mt -59.95 -39.59 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.957 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.57 ' HB2' HD21 ' B' ' 25' ' ' LEU . 8.9 tp10 -59.39 -36.49 75.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 74.53 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -56.45 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -66.07 -21.03 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.852 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.46 35.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 75.02 112.509 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . 0.534 ' HB2' HD22 ' B' ' 76' ' ' LEU . 3.3 mmtt -77.26 -14.85 59.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 75.41 110.94 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.579 HD22 ' HE2' ' B' ' 29' ' ' LYS . 2.4 pp -50.78 -36.26 36.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.875 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.33 -65.02 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.953 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.11 -17.79 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 54.11 110.879 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.804 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.8 tt -74.74 -51.87 13.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 71.31 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.577 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -75.16 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 53.3 110.984 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -40.15 13.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.11 110.923 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' THR . . . . . 0.443 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.6 t -139.57 -41.1 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.102 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.51 65.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 65.01 112.514 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 149.4 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 62.41 110.828 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.896 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 tt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 116.974 -1.488 . . . . 64.02 110.702 179.131 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 121.432 0.462 . . . . 60.32 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -27.33 27.13 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 71.23 112.389 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.83 110.38 0.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.463 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.18 -18.26 60.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 60.45 110.87 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -175.4 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 61.23 110.883 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.96 -177.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.35 55.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 60.44 110.814 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.44 150.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.1 111.123 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.6 mp -136.02 151.54 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 70.41 111.144 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' HZ1' ' A' ' 23' ' ' LYS . 11.2 tt -136.06 135.33 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.135 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.4 m-85 -91.68 106.72 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 72.25 110.935 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.95 146.14 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 42.23 111.111 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.1 160.73 81.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 64.43 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 78.22 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.699 2.266 . . . . 70.15 112.305 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.51 105.42 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.734 . . . . 73.43 112.462 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.257 31.7 m 147.08 -28.51 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 131.147 3.779 . . . . 65.3 120.966 164.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -65.22 -10.88 27.52 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 113.555 -3.83 . . . . 74.11 112.329 162.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 69.81 64.06 0.24 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.333 1.453 . . . . 73.5 110.99 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.23 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.818 -0.551 . . . . 42.41 110.917 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.36 -22.25 60.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 34.4 111.108 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.72 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 53.52 111.02 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HZ1' HG21 ' A' ' 10' ' ' ILE . 8.7 mmtp -76.57 -27.84 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 73.04 110.944 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB3' ' OH ' ' A' ' 74' ' ' TYR . . . -52.33 -45.65 65.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.122 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD23 HD21 ' A' ' 73' ' ' LEU . 11.0 tp -76.1 -52.24 10.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 65.05 110.893 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.709 HD13 ' CD2' ' A' ' 33' ' ' PHE . 8.9 mt -51.64 -30.31 21.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 62.51 110.91 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -37.16 62.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.069 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.41 -24.07 63.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 54.14 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.748 ' HD3' ' HB2' ' A' ' 31' ' ' ALA . 2.4 ptpt -111.74 4.66 18.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.828 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.93 30.95 31.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 63.04 112.441 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . . . -74.25 167.89 20.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 74.22 111.061 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.11 146.57 26.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.907 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.709 ' CD2' HD13 ' A' ' 26' ' ' LEU . 8.9 p90 -150.87 146.54 26.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 75.04 110.891 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.42 122.61 43.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -77.16 157.68 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.01 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' A' ' 9' ' ' ILE . 79.8 mt -135.61 117.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.42 111.127 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.87 106.6 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.86 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.3 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 65.4 111.064 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.18 25.77 14.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 51.22 110.928 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.57 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.3 111.099 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.537 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -129.17 147.92 66.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 74.24 111.172 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -15.2 37.21 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.739 2.293 . . . . 72.5 112.347 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.3 -40.98 57.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.883 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.537 HD12 ' CG2' ' A' ' 41' ' ' THR . 18.0 mt -89.11 -46.57 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 65.11 110.933 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -52.0 -46.37 64.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 64.43 110.833 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.8 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 73.41 111.09 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.72 -58.31 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 64.54 110.846 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.19 -25.17 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 72.03 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.61 67.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.41 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.07 -41.93 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.885 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -89.86 10.04 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.37 152.62 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 74.05 110.915 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.46 118.82 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 70.3 112.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 54' ' ' ARG . 2.6 mpp_? 58.32 23.93 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 71.44 110.854 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.1 45.04 1.61 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 125.536 1.772 . . . . 71.42 109.888 -175.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -53.96 175.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 112.243 -2.253 . . . . 63.33 111.17 172.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.39 157.05 1.8 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 63.21 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.69 2.01 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.74 2.294 . . . . 50.22 112.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -109.72 149.45 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.412 HD13 HG13 ' A' ' 10' ' ' ILE . 41.1 mm -112.35 147.22 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.45 111.116 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.912 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 89' ' ' GLY . 2.1 pt -121.54 108.02 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.178 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.1 -116.25 6.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 74.43 112.508 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 m -107.86 26.52 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 71.3 110.873 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.1 t -121.5 144.41 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 62.15 111.143 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -97.26 152.9 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 69' ' ' GLY . 57.3 t -140.1 131.72 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 70.53 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.63 -30.78 28.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 62.24 112.52 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.727 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 136.21 -134.77 7.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.785 -0.721 . . . . 60.23 112.477 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.467 ' HG ' ' HD2' ' A' ' 74' ' ' TYR . 2.2 t -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 63.32 110.866 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.75 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 63.04 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -43.5 35.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.667 HD21 HD23 ' A' ' 25' ' ' LEU . 1.4 tt -52.33 -40.71 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.916 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.627 ' OH ' ' HB3' ' A' ' 24' ' ' ALA . 9.1 m-85 -79.01 -40.74 30.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.903 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.51 72.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.11 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.23 -39.43 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.617 ' HA ' HD23 ' A' ' 82' ' ' LEU . 5.1 tm-20 -59.44 -29.92 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.52 110.87 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.09 -51.66 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.907 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.34 -29.97 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 55.23 110.86 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.71 46.14 1.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 65.03 112.484 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -129.81 26.52 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 73.31 110.924 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.664 HD13 ' HE2' ' A' ' 29' ' ' LYS . 3.7 pp -90.1 -36.63 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 73.31 110.873 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.84 -62.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.867 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -15.6 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.852 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.3 tt -78.53 -49.04 14.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 53.23 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -76.55 -10.08 59.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.973 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -36.41 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.943 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -131.77 -46.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 62.41 111.218 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.535 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 86.62 65.87 1.39 Allowed Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.699 -0.762 . . . . 72.33 112.454 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.5 164.62 11.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 73.54 110.86 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -96.61 -19.03 19.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.95 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--O 1.246 0.904 0 O-C-N 120.585 -1.322 . . . . 71.15 112.375 178.287 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 121.42 0.456 . . . . 60.32 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -27.29 26.86 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 71.23 112.381 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.78 110.35 0.44 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 71.11 112.489 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -18.37 60.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 60.45 110.857 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.45 -175.4 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 61.23 110.9 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.97 -177.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.065 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.85 127.33 55.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 60.44 110.83 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.45 150.14 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 72.1 111.138 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.6 mp -136.05 151.54 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 70.41 111.129 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.406 HG13 HD13 ' B' ' 60' ' ' ILE . 11.2 tt -136.07 135.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 75.12 111.112 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' B' ' 36' ' ' ILE . 12.4 m-85 -91.77 106.68 18.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.91 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -170.91 146.2 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 42.23 111.085 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -72.09 160.75 81.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.544 0.688 . . . . 64.43 110.867 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 78.29 1.05 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.642 2.228 . . . . 70.15 112.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.5 104.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.455 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m 152.16 -29.99 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.886 0 N-CA-C 119.937 3.31 . . . . 65.3 119.937 169.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -72.67 -8.77 23.02 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 116.695 -1.736 . . . . 74.11 112.331 164.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 63.4 67.59 0.64 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.227 1.811 . . . . 73.5 111.8 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.93 41.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.089 0.956 . . . . 42.41 110.955 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -22.21 60.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 34.4 111.08 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -69.67 -50.78 40.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.822 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.436 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -62.37 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 53.52 111.035 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -76.59 -27.84 55.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.402 . . . . 73.04 110.972 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.629 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -52.37 -45.66 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 65.23 111.086 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.659 HD23 HD21 ' B' ' 73' ' ' LEU . 11.1 tp -76.1 -52.2 10.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 65.05 110.922 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.712 HD13 ' CD2' ' B' ' 33' ' ' PHE . 8.9 mt -51.72 -30.27 21.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.897 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.93 -37.15 62.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.08 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -69.45 -24.08 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 54.14 110.898 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.743 ' HD3' ' HB2' ' B' ' 31' ' ' ALA . 2.4 ptpt -111.7 4.68 18.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.863 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.92 30.91 30.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 63.04 112.496 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.743 ' HB2' ' HD3' ' B' ' 29' ' ' LYS . . . -74.21 167.85 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 74.22 111.1 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -100.07 146.56 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.939 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.712 ' CD2' HD13 ' B' ' 26' ' ' LEU . 8.9 p90 -150.84 146.55 26.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.878 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -118.41 122.63 43.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -77.18 157.7 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.834 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.612 HD11 ' CG2' ' B' ' 9' ' ' ILE . 79.8 mt -135.6 117.05 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.42 111.162 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.86 106.59 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.32 179.9 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 65.4 111.073 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 63.15 25.84 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 51.22 110.887 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.58 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 64.3 111.064 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.546 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -129.15 147.88 66.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.642 0.734 . . . . 74.24 111.167 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -15.24 37.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 72.5 112.349 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -75.28 -40.9 58.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.865 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' B' ' 41' ' ' THR . 18.0 mt -89.17 -46.59 8.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 65.11 110.887 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -52.01 -46.41 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 64.43 110.804 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.72 92.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 73.41 111.125 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -65.76 -58.25 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 64.54 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 20.0 mmm -62.26 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.03 110.83 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.22 -25.56 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.909 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -82.05 -41.99 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.853 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.91 10.12 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 74.45 110.853 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.43 152.65 21.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 74.05 110.879 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.41 118.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.41 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 54' ' ' ARG . 2.6 mpp_? 58.39 25.96 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 71.44 110.82 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 45.87 41.08 7.38 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.438 1.113 . . . . 71.42 108.352 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -57.63 175.41 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 63.33 111.188 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -51.36 157.05 1.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.606 0.717 . . . . 63.21 110.891 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -177.67 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 50.22 112.359 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -109.69 149.44 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.03 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.406 HD13 HG13 ' B' ' 10' ' ' ILE . 40.9 mm -112.33 147.19 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.122 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -132.32 120.96 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.935 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.538 HD12 ' C ' ' B' ' 89' ' ' GLY . 2.1 pt -121.56 108.01 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.14 111.182 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.08 -116.29 6.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 74.43 112.437 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 40.8 m -107.84 26.53 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 71.3 110.815 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -121.46 144.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 62.15 111.153 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -97.36 152.91 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.722 HG12 ' H ' ' B' ' 69' ' ' GLY . 57.5 t -140.13 131.76 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.159 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -30.73 28.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.67 -0.776 . . . . 62.24 112.467 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.722 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 136.2 -134.76 7.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.816 -0.707 . . . . 60.23 112.483 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . 0.539 ' HG ' ' HD2' ' B' ' 74' ' ' TYR . 2.2 t -65.83 -39.39 90.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 63.32 110.891 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.69 -52.72 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 63.04 110.865 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.99 -43.44 34.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.822 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.659 HD21 HD23 ' B' ' 25' ' ' LEU . 1.3 tt -52.38 -40.68 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.23 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.629 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 9.1 m-85 -79.0 -40.7 30.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.925 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.58 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.147 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.18 -39.46 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.914 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.638 ' HA ' HD23 ' B' ' 82' ' ' LEU . 5.1 tm-20 -59.44 -29.93 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 64.52 110.848 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.07 -51.68 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 64.23 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.31 -29.98 70.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 55.23 110.858 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.66 46.16 1.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 65.03 112.5 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -129.79 26.49 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 73.31 110.939 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.695 HD13 ' HE2' ' B' ' 29' ' ' LYS . 3.7 pp -90.04 -36.65 14.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.431 . . . . 73.31 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -57.88 -62.62 1.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.849 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -15.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.836 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.412 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.2 tt -78.57 -49.04 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 53.23 110.905 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.412 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -76.5 -10.12 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 60.13 110.967 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -36.43 10.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 21.1 p -131.76 -46.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 62.41 111.155 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.538 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 86.67 65.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.475 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -102.47 164.57 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 73.54 110.918 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.415 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.4 OUTLIER -96.58 -20.52 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.52 110.958 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--O 1.243 0.734 0 O-C-N 120.082 -1.636 . . . . 71.15 110.465 178.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.398 0.444 . . . . 64.13 112.552 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 169.32 19.28 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.728 2.286 . . . . 74.24 112.331 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.42 -153.9 0.8 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.781 -0.723 . . . . 70.12 112.566 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.61 157.48 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 74.23 110.879 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.4 mtm -148.36 176.68 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 64.22 110.896 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.649 HG21 ' O ' ' A' ' 88' ' ' THR . 29.8 m -90.97 -176.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 65.24 111.126 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.18 149.44 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 53.42 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 62' ' ' ILE . 61.5 t -84.22 132.87 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 36' ' ' ILE . 3.4 mp -130.85 146.26 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.142 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.48 HD11 ' CG ' ' A' ' 58' ' ' PRO . 12.9 tt -126.09 135.75 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.078 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.04 102.14 14.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.83 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.452 HG23 ' OE1' ' A' ' 35' ' ' GLU . 14.7 t -175.74 165.92 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 62.33 111.166 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -69.78 160.71 78.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.697 0.761 . . . . 73.53 110.816 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -15.9 37.11 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.692 2.261 . . . . 64.41 112.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.68 100.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.659 -0.782 . . . . 30.35 112.455 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.662 ' HA ' ' NH2' ' B' ' 13' ' ' ARG . 4.7 m -177.37 -72.6 0.0 OUTLIER Pre-proline 0 C--N 1.295 -1.765 0 N-CA-C 108.92 -0.77 . . . . 73.41 108.92 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -62.5 -177.87 0.33 Allowed 'Trans proline' 0 C--N 1.326 -0.646 0 C-N-CA 124.484 3.456 . . . . 61.35 112.353 -176.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -97.18 59.61 1.62 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.186 0.993 . . . . 65.32 110.314 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.3 p -96.8 30.96 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.053 -1.029 . . . . 63.11 110.945 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.56 -25.78 33.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 34.04 111.145 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 26.1 mtt180 -66.44 -60.53 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.859 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -40.17 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.105 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.67 -25.61 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB3' ' OH ' ' A' ' 74' ' ' TYR . . . -51.73 -58.2 7.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 71.14 111.149 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.551 HD11 ' HG3' ' A' ' 77' ' ' GLU . 14.6 tp -62.72 -42.77 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.886 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.9 mt -57.11 -24.12 51.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.842 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 53.21 111.066 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.1 -26.9 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 54.03 110.791 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD3' HD13 ' A' ' 82' ' ' LEU . 1.3 ptpm? -119.2 15.7 13.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.909 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.49 28.28 20.6 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 33.53 112.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.747 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -62.76 160.75 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 63.23 111.081 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -96.89 147.11 24.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.836 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 26' ' ' LEU . 12.2 p90 -155.84 153.57 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.909 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.33 128.41 48.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.912 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE1' HG23 ' A' ' 12' ' ' THR . 8.9 mm-40 -83.79 159.4 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.901 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 9' ' ' ILE . 78.0 mt -139.65 107.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 72.04 111.217 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.87 105.48 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 73.52 110.957 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.36 178.44 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.4 111.107 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.35 26.25 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.44 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.0 -35.99 3.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 72.31 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.13 147.59 66.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 72.41 111.064 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -16.84 37.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 74.55 112.344 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -75.75 -42.17 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 70.43 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.89 -57.81 5.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.95 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.54 45.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.929 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.75 27.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 65.52 111.074 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.41 -29.74 64.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.46 -26.22 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 54.31 110.871 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.28 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -74.39 -40.75 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.53 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.15 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.35 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -53.11 132.63 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.797 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.93 -75.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.472 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.58 157.69 28.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 73.43 110.855 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -117.43 26.01 10.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.696 0.76 . . . . 72.32 109.604 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.1 -43.12 35.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.108 -0.951 . . . . 61.35 111.123 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -139.57 157.3 70.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 73.43 110.932 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CG ' HD11 ' A' ' 10' ' ' ILE . 52.8 Cg_endo -69.73 179.58 3.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.733 2.288 . . . . 72.5 112.294 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -100.87 140.2 35.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 62.54 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.53 ' HB ' HG13 ' A' ' 67' ' ' VAL . 36.3 mm -112.94 143.19 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.114 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -129.38 142.47 50.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 pt -140.56 101.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.104 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.75 -114.75 5.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 43.32 112.479 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -109.01 28.15 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 71.04 110.905 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -124.68 144.76 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 71.44 111.074 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.81 143.54 36.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 64.55 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG13 ' HB ' ' A' ' 60' ' ' ILE . 7.6 p -145.29 144.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.33 111.081 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.11 -72.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.32 112.5 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.9 -147.99 8.38 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.754 -0.736 . . . . 53.22 112.473 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.2 -32.31 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 64.54 110.908 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.81 -48.55 72.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.044 -0.525 . . . . 71.42 110.896 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.11 -43.36 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 43.4 110.851 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 25' ' ' LEU . 1.8 tt -51.65 -35.91 44.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 62.33 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 24' ' ' ALA . 5.3 m-85 -74.45 -40.81 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.896 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.56 85.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 54.33 111.19 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.74 -41.25 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 71.53 110.914 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.551 ' HG3' HD11 ' A' ' 25' ' ' LEU . 6.4 tm-20 -59.4 -41.34 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 70.3 110.907 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.21 -52.88 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.45 -25.29 66.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 72.45 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.72 54.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.823 -0.703 . . . . 73.21 112.558 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -129.93 21.48 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.1 110.945 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 ' HD3' ' A' ' 29' ' ' LYS . 2.7 pp -90.08 -35.77 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 52.51 110.908 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -53.99 -48.11 70.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 60.14 110.868 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.28 -25.92 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 74.33 110.849 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 62' ' ' ILE . 5.4 tt -68.06 -35.54 78.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 60.42 110.822 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.38 -11.8 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.931 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -27.92 16.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 53.24 110.864 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.6 t -150.24 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 74.55 111.228 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.44 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 96.58 85.89 1.77 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.403 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.89 140.51 52.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 71.11 110.863 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.85 -30.72 67.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.867 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--O 1.247 0.936 0 CA-C-O 116.54 -1.695 . . . . 50.23 111.34 -168.664 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.361 0.423 . . . . 64.13 112.539 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.36 19.08 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.716 2.278 . . . . 74.24 112.292 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.52 -153.89 0.83 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 70.12 112.459 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.62 157.47 37.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 74.23 110.855 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 27.3 mtm -148.43 176.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.514 . . . . 64.22 110.891 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.651 HG21 ' O ' ' B' ' 88' ' ' THR . 29.4 m -90.99 -176.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.444 . . . . 65.24 111.105 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -166.23 149.44 7.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 53.42 110.831 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.538 HG22 HG22 ' B' ' 62' ' ' ILE . 60.6 t -84.27 132.91 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.146 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.616 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -130.9 146.27 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 74.35 111.036 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.484 HD11 ' CG ' ' B' ' 58' ' ' PRO . 12.9 tt -126.12 135.74 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.32 111.147 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -93.89 102.05 14.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.442 HG23 ' OE1' ' B' ' 35' ' ' GLU . 14.7 t -175.71 165.94 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 62.33 111.204 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.662 ' NH2' ' HA ' ' A' ' 16' ' ' CYS . 22.7 mtt85 -69.88 160.79 78.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 73.53 110.883 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.94 37.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 64.41 112.322 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.7 107.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 30.35 112.492 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t 164.59 -52.69 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 C-N-CA 126.253 1.821 . . . . 73.41 113.824 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -72.16 -174.98 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 CA-C-N 118.456 0.484 . . . . 61.35 112.325 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -104.09 56.6 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 119.711 -1.868 . . . . 65.32 109.366 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.4 p -90.83 30.95 1.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.062 -0.972 . . . . 63.11 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.51 -25.83 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 34.04 111.156 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 26.2 mtt180 -66.44 -60.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.54 110.89 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.21 60.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.145 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -75.49 -25.72 57.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.946 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -51.68 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.14 111.151 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.563 HD11 ' HG3' ' B' ' 77' ' ' GLU . 14.6 tp -62.75 -42.83 99.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.834 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' B' ' 31' ' ' ALA . 14.0 mt -56.96 -24.18 51.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.3 110.927 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.97 -19.92 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 53.21 111.098 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -77.04 -26.89 54.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 54.03 110.872 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.533 ' HD3' HD13 ' B' ' 82' ' ' LEU . 1.3 ptpm? -119.29 15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.889 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.51 28.26 20.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 33.53 112.507 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.78 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -62.79 160.75 13.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 63.23 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -96.92 147.04 24.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.088 -0.506 . . . . 74.14 110.872 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' B' ' 26' ' ' LEU . 12.0 p90 -155.74 153.62 30.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 64.13 110.853 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -125.39 128.41 48.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 75.22 110.897 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.442 ' OE1' HG23 ' B' ' 12' ' ' THR . 8.9 mm-40 -83.79 159.41 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.95 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.616 HD11 HG21 ' B' ' 9' ' ' ILE . 78.3 mt -139.63 108.02 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 72.04 111.188 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -64.84 105.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.929 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.43 178.4 6.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.444 . . . . 62.4 111.139 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.6 t 61.31 26.34 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.82 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.03 -35.99 3.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.123 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.09 147.52 66.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.534 0.683 . . . . 72.41 111.151 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -16.78 37.85 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 74.55 112.374 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -75.8 -42.21 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 70.43 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.91 -57.75 5.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 73.02 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -26.57 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 74.03 110.936 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.73 -50.67 28.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 65.52 111.121 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.47 -29.76 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.851 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 5.9 ttt -89.35 -26.2 21.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 54.31 110.903 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.78 -29.3 69.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 74.54 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -74.45 -40.69 61.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 63.53 110.823 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -93.26 10.08 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 62.35 110.841 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -53.03 132.63 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 63.15 110.926 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.89 -75.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 63.14 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -120.55 154.61 35.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 73.43 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -112.83 27.3 9.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.932 0.396 . . . . 72.32 110.287 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.72 -42.97 26.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.891 0.376 . . . . 61.35 111.118 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -139.64 157.3 70.36 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.617 0.722 . . . . 73.43 110.87 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.484 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.6 Cg_endo -69.74 179.58 3.59 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.742 2.295 . . . . 72.5 112.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -100.89 140.29 35.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 62.54 110.897 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.538 ' HB ' HG13 ' B' ' 67' ' ' VAL . 36.2 mm -112.95 143.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.53 111.131 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.34 142.48 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.86 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.538 HG22 HG22 ' B' ' 8' ' ' VAL . 2.4 pt -140.58 101.47 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 72.41 111.055 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 57.65 -114.62 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 43.32 112.515 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.7 m -109.09 27.99 8.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.917 0.389 . . . . 71.04 110.816 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -124.56 144.84 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 71.44 111.122 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -107.77 143.5 36.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.896 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.538 HG13 ' HB ' ' B' ' 60' ' ' ILE . 7.5 p -145.37 144.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 54.33 111.113 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.17 -72.55 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 54.32 112.461 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.95 -147.95 8.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 53.22 112.422 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 60.3 p -51.28 -32.12 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 64.54 110.823 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -55.07 -48.47 73.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 71.42 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -84.09 -43.35 15.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 43.4 110.893 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.516 HD21 HD23 ' B' ' 25' ' ' LEU . 1.9 tt -51.69 -35.85 44.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 62.33 110.919 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.477 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 5.3 m-85 -74.44 -40.81 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.879 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.51 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 54.33 111.182 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.73 -41.2 73.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 71.53 110.961 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.563 ' HG3' HD11 ' B' ' 25' ' ' LEU . 6.4 tm-20 -59.38 -41.43 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 70.3 110.878 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.2 -52.83 62.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.11 110.843 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -66.52 -25.27 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 72.45 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.78 54.75 1.38 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.793 -0.717 . . . . 73.21 112.58 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -130.03 21.53 5.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.729 0.3 . . . . 74.1 110.867 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.533 HD13 ' HD3' ' B' ' 29' ' ' LYS . 2.7 pp -90.12 -35.77 15.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 52.51 110.898 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -53.9 -48.22 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.285 -0.416 . . . . 60.14 110.83 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -25.93 42.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.838 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.469 ' HG ' HG21 ' B' ' 62' ' ' ILE . 5.5 tt -67.95 -35.48 78.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 60.42 110.99 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.55 -11.62 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 74.5 110.885 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 -27.99 16.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 53.24 110.893 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.651 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.6 t -150.27 -41.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 74.55 111.199 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.438 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 96.52 85.88 1.76 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.33 112.471 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.85 140.42 52.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 71.11 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -25.37 62.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.863 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 107.041 -1.466 . . . . 50.23 107.041 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 121.393 0.44 . . . . 41.13 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.69 -173.09 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 65.04 112.374 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.2 147.5 4.75 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.711 -0.757 . . . . 71.24 112.487 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 m -117.0 77.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 74.32 110.881 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm -172.01 175.37 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 74.03 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -93.05 -173.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 74.03 111.133 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.34 146.03 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.831 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 62' ' ' ILE . 21.0 t -95.37 150.6 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.138 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' ILE . 3.4 mp -139.82 152.95 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.53 111.172 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.732 HD11 ' CG ' ' A' ' 58' ' ' PRO . 14.1 tt -132.49 136.33 56.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.141 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' CD1' HD12 ' A' ' 36' ' ' ILE . 12.7 m-85 -98.89 99.59 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.95 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.01 175.86 1.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.184 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -61.79 160.82 25.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 63.21 110.842 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.64 -13.66 35.3 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.7 2.267 . . . . 64.21 112.325 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.1 109.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.659 -0.781 . . . . 74.42 112.454 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.696 ' CA ' HH21 ' B' ' 13' ' ' ARG . 0.1 OUTLIER 174.0 -78.64 0.0 OUTLIER Pre-proline 0 N--CA 1.423 -1.785 0 N-CA-C 104.302 -2.481 . . . . 75.02 104.302 178.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -53.21 175.93 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.383 2.722 . . . . 72.13 112.35 -173.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -86.55 93.57 9.22 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.72 -1.863 . . . . 74.53 107.83 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -131.76 32.82 4.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.084 -1.871 . . . . 75.22 110.822 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -22.69 31.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.115 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.2 -49.69 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.81 82.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.1 111.133 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.04 -25.07 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 65.35 110.896 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.52 -67.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 43.23 111.11 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD2' HD21 ' A' ' 73' ' ' LEU . 21.2 tp -53.08 -45.57 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.97 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.724 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.7 mt -58.0 -23.09 52.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.898 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.9 -19.82 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 65.32 111.171 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.25 49.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.912 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 1.1 ptpm? -119.11 15.61 13.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 55.01 110.823 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.82 22.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 70.14 112.454 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -63.01 169.83 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 63.33 111.061 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.36 159.05 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 61.02 110.824 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -169.91 151.29 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -134.48 124.73 26.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 70.51 110.918 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.07 156.98 28.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 64.21 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.613 HG22 HD21 ' A' ' 44' ' ' LEU . 24.8 mt -137.23 109.98 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 65.32 111.082 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.17 113.79 6.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.819 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.57 -179.65 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 62.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.74 23.46 13.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.796 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.69 9.79 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 51.12 111.05 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.56 148.67 2.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 74.42 111.136 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -11.94 31.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 72.21 112.374 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -80.0 -55.68 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 63.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.613 HD21 HG22 ' A' ' 36' ' ' ILE . 8.4 mp -62.19 -55.31 29.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.127 -0.488 . . . . 71.21 110.913 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -51.63 -42.41 62.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.925 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.44 74.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 61.12 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.68 -60.35 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.903 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.8 -26.22 63.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.92 -26.1 66.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.931 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.05 -40.52 61.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.91 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.65 -50.2 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.85 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.47 48.57 14.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.876 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.09 174.67 39.05 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.731 -0.747 . . . . 72.1 112.434 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.52 -171.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 60.11 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.44 44.83 0.62 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.971 0.909 . . . . 54.42 111.997 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 p -80.3 -172.12 3.35 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 120.453 -1.405 . . . . 70.52 111.165 -175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.63 156.91 2.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.747 0.784 . . . . 55.23 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.732 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.6 Cg_endo -69.77 169.02 19.9 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.634 2.222 . . . . 52.42 112.285 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.59 140.63 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.24 110.9 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mm -107.85 144.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.35 111.148 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.77 106.58 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.863 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.614 HG22 HG22 ' A' ' 8' ' ' VAL . 11.1 pt -116.92 125.82 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.35 111.061 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.89 39.61 62.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 74.31 112.463 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.33 21.78 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 62.32 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.556 ' CG1' HD23 ' A' ' 91' ' ' LEU . 26.3 t -102.54 146.28 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 74.53 111.234 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.92 129.47 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.894 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 69' ' ' GLY . 58.8 t -130.82 131.41 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.103 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.2 36.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 70.51 112.503 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 145.67 -148.51 20.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 70.31 112.525 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -61.24 -37.4 82.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 73.45 110.862 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.83 -43.02 63.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.94 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.19 -45.2 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 74.05 110.964 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -51.82 -41.86 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.998 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.45 -42.86 70.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 75.23 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.13 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 44.3 111.062 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.7 -44.21 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 72.44 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' HD11 ' A' ' 25' ' ' LEU . 4.0 tm-20 -61.08 -39.64 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.834 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.93 -49.52 72.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.252 -0.431 . . . . 55.34 110.871 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -65.84 -26.82 67.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.888 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.42 2.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -127.8 23.99 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 71.04 110.75 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.02 -39.57 61.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.332 -0.394 . . . . 75.21 110.922 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.24 -51.11 63.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.3 110.952 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -27.83 65.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.819 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -67.03 -41.33 86.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.952 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.65 -19.87 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.949 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.11 -24.26 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 64.45 110.852 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.5 p -147.94 -53.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 63.03 111.126 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 104.68 110.46 3.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 62.51 112.529 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -134.46 127.68 31.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.873 0.368 . . . . 72.02 110.94 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.556 HD23 ' CG1' ' A' ' 65' ' ' VAL . 2.0 pp -61.38 -35.33 77.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.99 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.2 tt . . . . . 0 C--O 1.258 1.504 0 O-C-N 117.505 -3.247 . . . . 73.3 116.291 -173.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 CA-C-O 121.463 0.479 . . . . 41.13 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.76 -173.15 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 65.04 112.288 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.24 147.45 4.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 71.24 112.499 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 40.9 m -116.91 77.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.8 0.334 . . . . 74.32 110.857 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm -172.03 175.34 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.03 110.878 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.05 -173.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.03 111.155 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -148.39 146.01 28.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 75.22 110.874 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.609 HG22 HG22 ' B' ' 62' ' ' ILE . 21.2 t -95.31 150.69 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 75.45 111.097 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.472 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -139.87 152.99 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.53 111.175 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.714 HD11 ' CG ' ' B' ' 58' ' ' PRO . 14.1 tt -132.45 136.28 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 64.21 111.197 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.491 ' CD1' HD12 ' B' ' 36' ' ' ILE . 12.6 m-85 -98.9 99.63 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.936 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -176.0 175.84 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 63.34 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.696 HH21 ' CA ' ' A' ' 16' ' ' CYS . 34.0 mtt85 -61.8 160.83 25.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.694 . . . . 63.21 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -13.67 35.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.727 2.285 . . . . 64.21 112.4 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.14 108.39 0.26 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.652 -0.785 . . . . 74.42 112.431 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.748 ' SG ' 'AG ' ' B' ' 101' ' ' ' AG' . 93.5 m 172.72 -58.19 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.197 0 O-C-N 119.536 -2.155 . . . . 75.02 109.081 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.79 176.16 7.94 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.676 1.584 . . . . 72.13 112.39 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -78.34 88.23 4.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.147 0.498 . . . . 74.53 111.214 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.92 32.91 3.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 75.22 110.828 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -22.6 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.113 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -63.23 -49.71 73.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.821 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.85 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 73.1 111.057 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -67.06 -24.98 66.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 65.35 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.55 -67.31 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 43.23 111.135 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.488 HD23 HD21 ' B' ' 73' ' ' LEU . 20.8 tp -53.04 -45.67 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 70.44 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' B' ' 31' ' ' ALA . 13.6 mt -58.0 -23.04 52.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.911 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.94 -19.85 24.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 65.32 111.152 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -27.2 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.912 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 1.1 ptpm? -119.12 15.58 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 55.01 110.885 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.92 22.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 70.14 112.439 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.734 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -63.06 169.85 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 63.33 111.104 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -99.33 159.02 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -169.9 151.3 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -134.5 124.69 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 70.51 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.02 156.93 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.21 110.922 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.644 HG22 HD21 ' B' ' 44' ' ' LEU . 24.7 mt -137.15 110.01 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 65.32 111.133 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.15 113.82 6.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.807 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.61 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 62.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t 63.63 23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.836 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.66 9.8 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 51.12 111.077 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.57 148.67 2.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 74.42 111.152 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -11.95 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.289 . . . . 72.21 112.319 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -79.92 -55.82 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 63.31 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.644 HD21 HG22 ' B' ' 36' ' ' ILE . 8.4 mp -62.17 -55.24 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 71.21 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -51.7 -42.43 62.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.904 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.4 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.12 111.117 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.72 -60.36 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 37.5 mmt -58.76 -26.3 63.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 72.43 110.845 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -66.85 -26.11 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.927 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.08 -40.52 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 65.3 110.889 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -93.56 -50.33 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.846 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t 57.54 48.55 14.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.03 174.54 39.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 72.1 112.462 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -61.39 -172.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 60.11 110.992 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -85.1 54.8 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.262 -1.524 . . . . 54.42 111.592 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -80.73 -172.05 3.44 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.653 -1.158 . . . . 70.52 111.184 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.7 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.732 0.777 . . . . 55.23 110.811 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.714 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.6 Cg_endo -69.68 168.97 19.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 52.42 112.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -91.57 140.61 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.847 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -107.82 144.23 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 75.35 111.23 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -134.69 106.53 6.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.898 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.609 HG22 HG22 ' B' ' 8' ' ' VAL . 11.2 pt -116.88 125.85 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.35 111.086 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.85 39.67 62.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.31 112.442 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m 63.34 21.72 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 62.32 110.832 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.542 ' CG1' HD23 ' B' ' 91' ' ' LEU . 26.7 t -102.5 146.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 74.53 111.137 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -81.97 129.49 34.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.502 HG12 ' H ' ' B' ' 69' ' ' GLY . 59.0 t -130.77 131.42 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.175 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -40.09 36.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 70.51 112.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.502 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 145.63 -148.48 20.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.573 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 96.7 p -61.23 -37.46 83.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.367 . . . . 73.45 110.857 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -51.76 -43.09 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.874 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -86.25 -45.22 11.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.877 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.488 HD21 HD23 ' B' ' 25' ' ' LEU . 1.1 tt -51.73 -41.9 61.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -70.48 -42.86 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.11 69.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 44.3 111.082 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.63 -44.28 94.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.884 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.479 ' HG3' HD11 ' B' ' 25' ' ' LEU . 4.0 tm-20 -61.04 -39.63 90.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.86 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.06 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 55.34 110.765 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -65.78 -26.83 67.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.956 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.26 44.48 2.01 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.83 -0.7 . . . . 64.11 112.503 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -127.78 23.87 6.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 71.04 110.798 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.06 -39.42 60.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.21 110.904 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.31 -51.22 63.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.418 . . . . 73.3 110.897 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -27.84 65.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' B' ' 62' ' ' ILE . 0.7 OUTLIER -66.99 -41.39 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 64.22 110.972 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.63 -19.88 25.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.919 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -86.16 -24.13 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 64.45 110.874 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 68.6 p -148.0 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 63.03 111.168 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.455 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 104.71 110.48 3.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 62.51 112.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' B' ' 92' ' ' ILE . 16.7 tppt? -134.47 127.57 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.745 0.307 . . . . 72.02 110.933 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.542 HD23 ' CG1' ' B' ' 65' ' ' VAL . 2.0 pp -61.36 -30.19 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.36 -0.382 . . . . 72.11 110.894 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.408 ' H ' ' HG3' ' B' ' 90' ' ' LYS . 18.7 tt . . . . . 0 N--CA 1.489 1.486 0 O-C-N 116.82 -3.675 . . . . 73.3 117.111 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . 0.748 'AG ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.454 0.474 . . . . 74.12 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.61 2.206 . . . . 60.31 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.19 111.44 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 61.22 112.449 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.6 m -98.74 26.69 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 75.44 110.803 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.3 mmm -73.18 169.5 16.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.87 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.19 -179.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 54.22 111.116 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -153.69 136.72 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.828 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.52 138.74 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.14 111.119 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.652 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.5 mp -139.44 150.74 22.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 53.35 111.143 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' CE ' ' A' ' 23' ' ' LYS . 20.8 tt -137.63 136.83 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.105 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CD1' HD12 ' A' ' 36' ' ' ILE . 10.5 m-85 -90.86 116.03 28.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 74.41 110.94 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.631 HG21 ' SG ' ' A' ' 19' ' ' CYS . 2.3 t 179.75 158.93 0.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 64.34 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.47 160.64 81.91 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 72.03 110.884 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.64 78.47 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.576 2.184 . . . . 64.54 112.422 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.29 101.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 24.24 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.624 ' HB3' ' CZ ' ' B' ' 13' ' ' ARG . 0.5 OUTLIER 167.58 -48.98 0.0 OUTLIER Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 118.319 2.711 . . . . 74.44 118.319 178.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD3' ' SG ' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -72.77 -168.81 0.43 Allowed 'Trans proline' 0 C--N 1.332 -0.313 0 C-N-CA 120.56 0.84 . . . . 71.34 112.35 172.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -90.57 63.42 5.48 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.39 1.091 . . . . 75.3 109.812 -174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.631 ' SG ' HG21 ' A' ' 12' ' ' THR . 7.4 t -109.22 32.99 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.137 -0.938 . . . . 74.12 110.857 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -90.21 -23.04 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 61.22 111.061 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -77.81 -57.13 3.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.42 79.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 64.55 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' HG21 ' A' ' 10' ' ' ILE . 7.7 mmtp -66.46 -36.64 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.839 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -51.66 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.21 111.123 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.711 HD11 ' HG3' ' A' ' 77' ' ' GLU . 16.7 tp -56.74 -48.04 78.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.32 110.877 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 31' ' ' ALA . 13.6 mt -55.94 -25.52 43.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.936 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -22.76 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.2 111.159 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.9 -28.04 57.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.946 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 13.4 ptpt -111.93 14.25 20.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.31 110.881 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.97 28.01 23.49 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.62 -0.8 . . . . 72.42 112.512 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -71.13 156.27 39.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 60.42 111.137 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.93 146.63 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 73.34 110.865 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.04 152.94 30.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 73.41 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -128.16 128.82 45.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.22 110.877 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.76 160.09 24.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 75.41 110.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.652 HD11 ' CG2' ' A' ' 9' ' ' ILE . 53.3 mt -136.89 123.91 30.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 71.14 111.094 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.01 105.13 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 64.41 110.803 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.24 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 73.02 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.37 23.54 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.86 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.56 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 73.43 111.054 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 HG23 HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -141.13 154.6 68.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.587 0.708 . . . . 74.43 111.131 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -8.07 22.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.651 2.234 . . . . 61.04 112.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.26 -44.56 83.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.876 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.0 mm? -88.06 -47.93 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.931 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.95 -30.22 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.796 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -50.2 70.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.064 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -64.75 -44.15 91.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 53.2 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.07 -26.1 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.3 110.854 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -63.24 -26.07 68.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 61.25 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.17 -40.94 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.55 10.16 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.962 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 t -52.96 112.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 71.13 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.99 -56.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 65.15 112.529 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -133.34 139.44 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 75.34 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -125.02 36.47 4.59 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 117.218 -3.427 . . . . 75.24 107.711 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -71.49 -51.06 25.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.24 -1.345 . . . . 74.13 111.133 171.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.21 157.62 55.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 62.53 110.923 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.85 175.82 7.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 75.32 112.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.32 124.49 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 62.44 110.872 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.1 mm -89.94 150.17 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 63.04 111.22 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -139.48 140.89 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 65.52 110.935 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' C ' ' A' ' 89' ' ' GLY . 1.2 pt -147.06 115.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.089 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.43 -116.89 6.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 73.02 112.529 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.32 25.84 11.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 72.41 110.815 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.0 t -113.03 143.46 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 65.42 111.142 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -109.97 116.67 32.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.891 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -140.77 89.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 65.14 111.083 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.66 81.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.04 112.447 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.67 111.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 42.51 112.513 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -53.4 -30.57 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 55.04 110.818 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -74.39 -32.18 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 64.41 110.916 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -67.96 -36.81 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.11 110.807 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.95 -38.32 90.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 63.52 110.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.56 -34.77 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 73.22 110.944 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.3 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 62.04 111.057 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.3 -41.33 84.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.711 ' HG3' HD11 ' A' ' 25' ' ' LEU . 3.2 tm-20 -62.03 -40.01 94.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.893 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.39 -54.86 26.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.777 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.08 -26.26 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.848 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.01 48.35 2.09 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.819 -0.705 . . . . 61.3 112.466 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.45 25.81 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 73.01 110.982 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.09 -35.75 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 62.3 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.8 -49.67 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 72.42 110.894 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.88 -26.22 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.815 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.78 -47.56 74.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.972 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.83 60.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.822 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.12 -37.22 20.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.936 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.71 -41.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 75.34 111.168 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.477 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 109.45 111.27 3.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 71.24 112.521 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.73 147.01 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 72.23 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -87.98 -32.0 19.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 74.43 110.923 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.255 1.394 0 N-CA-C 104.039 -2.578 . . . . 75.3 104.039 -173.063 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 121.406 0.448 . . . . 74.12 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 60.31 112.305 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.1 111.34 1.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 61.22 112.55 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -98.68 26.71 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 75.44 110.806 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 20.2 mmm -73.17 169.4 17.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.874 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.08 -180.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 54.22 111.187 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.65 136.69 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.34 110.878 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -87.37 138.76 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 64.14 111.16 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.645 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.5 mp -139.46 150.77 22.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 53.35 111.131 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.429 HG21 ' CE ' ' B' ' 23' ' ' LYS . 20.7 tt -137.67 136.76 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.145 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' B' ' 36' ' ' ILE . 10.4 m-85 -90.9 116.1 28.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.865 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.636 HG21 ' SG ' ' B' ' 19' ' ' CYS . 2.3 t 179.65 158.85 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 64.34 111.194 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 16' ' ' CYS . 3.4 mtt-85 -73.28 160.63 82.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.717 0.77 . . . . 72.03 110.807 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 78.47 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.581 2.188 . . . . 64.54 112.434 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.4 105.85 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.728 -0.749 . . . . 24.24 112.515 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.323 7.7 p 156.37 -37.59 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.747 0 C-N-CA 129.367 3.067 . . . . 74.44 117.133 169.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.87 -174.11 0.87 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 116.69 -1.74 . . . . 71.34 112.353 168.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -79.01 66.84 4.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 122.234 1.016 . . . . 75.3 111.705 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.636 ' SG ' HG21 ' B' ' 12' ' ' THR . 7.4 t -114.57 32.95 5.62 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.484 -0.76 . . . . 74.12 110.856 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' B' ' 24' ' ' ALA . . . -90.08 -23.06 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.22 111.107 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -77.88 -56.99 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.943 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -46.39 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 64.55 111.103 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.429 ' CE ' HG21 ' B' ' 10' ' ' ILE . 7.7 mmtp -66.41 -36.61 83.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 71.25 110.915 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -51.71 -59.79 3.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.067 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.716 HD11 ' HG3' ' B' ' 77' ' ' GLU . 16.7 tp -56.81 -47.89 79.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.918 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' B' ' 31' ' ' ALA . 13.6 mt -55.96 -25.54 44.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.928 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.77 25.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 73.2 111.157 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -75.86 -28.1 58.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 62.14 110.91 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 13.4 ptpt -111.88 14.2 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.828 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.89 28.13 23.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 72.42 112.527 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.501 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -71.15 156.26 39.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 60.42 111.168 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -93.93 146.58 23.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.814 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -155.05 153.02 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.857 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -128.1 128.88 45.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 70.22 110.92 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.83 160.07 24.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 75.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.645 HD11 ' CG2' ' B' ' 9' ' ' ILE . 53.8 mt -136.93 123.96 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 71.14 111.117 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.96 105.09 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.873 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.26 -179.84 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.067 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m 63.39 23.46 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.9 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.05 -35.48 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.071 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.42 HG23 HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -141.09 154.6 68.22 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 74.43 111.144 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -8.14 22.85 Favored 'Trans proline' 0 CA--C 1.527 0.126 0 C-N-CA 122.772 2.314 . . . . 61.04 112.355 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.3 -44.48 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 73.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 44' ' ' LEU . 2.0 mm? -88.17 -47.85 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.937 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.4 ttm-85 -52.07 -30.18 24.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 71.02 110.776 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.19 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 71.34 111.17 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.78 -44.26 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.2 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.01 -26.06 65.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 73.3 110.938 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -63.26 -26.09 68.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 61.25 110.982 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -83.11 -40.92 19.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 63.32 110.9 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.56 10.18 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.867 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.8 t -52.96 112.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 71.13 110.834 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.02 -56.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.717 -0.754 . . . . 65.15 112.463 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -133.27 141.01 47.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.367 . . . . 75.34 110.864 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -113.21 16.1 19.22 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 125.135 1.522 . . . . 75.24 111.468 -174.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -77.22 -51.0 11.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.168 -172.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -121.22 157.7 55.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 62.53 110.846 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.88 175.79 7.73 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.716 2.277 . . . . 75.32 112.272 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -110.25 124.48 51.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 62.44 110.95 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 23.8 mm -89.9 150.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 63.04 111.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -139.5 140.91 37.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 65.52 110.999 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.48 HD12 ' C ' ' B' ' 89' ' ' GLY . 1.2 pt -147.14 115.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.114 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.35 -116.85 6.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 73.02 112.493 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.6 t -109.28 25.87 11.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 72.41 110.8 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.94 143.54 22.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.42 111.166 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -110.12 116.64 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.9 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -140.72 89.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.119 -0.492 . . . . 65.14 111.093 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -95.71 81.63 0.82 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.745 . . . . 73.04 112.448 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.68 111.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.85 -0.69 . . . . 42.51 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 62.0 p -53.35 -30.56 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 55.04 110.825 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.42 -32.14 62.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -67.96 -36.87 80.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 74.11 110.751 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.99 -38.31 90.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 63.52 110.911 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -77.54 -34.75 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.26 -51.25 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 62.04 111.111 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.38 -41.29 84.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.892 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.716 ' HG3' HD11 ' B' ' 25' ' ' LEU . 3.2 tm-20 -62.01 -40.07 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.924 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.31 -54.88 26.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.843 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.13 -26.12 66.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.854 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.91 48.37 2.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.802 -0.713 . . . . 61.3 112.534 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -129.52 25.86 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 73.01 110.929 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -87.12 -35.79 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 62.3 110.881 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.73 -49.74 61.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.86 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.2 m -75.82 -26.28 57.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.815 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.68 -47.68 74.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.948 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 pp -74.75 -16.7 60.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 71.21 110.906 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -37.26 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.864 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -144.69 -41.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.34 111.12 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.48 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 109.44 111.18 3.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 71.24 112.497 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -128.69 147.03 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 72.23 110.976 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.406 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.4 OUTLIER -87.98 -31.76 19.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 74.43 110.948 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.255 1.372 0 N-CA-C 105.189 -2.152 . . . . 75.3 105.189 -171.527 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.416 0.453 . . . . 61.24 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -48.33 0.73 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.648 2.232 . . . . 40.33 112.373 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.89 124.77 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.769 -0.729 . . . . 53.31 112.431 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -161.8 129.79 4.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.937 0.399 . . . . 64.13 110.813 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.4 mtm -101.54 -171.66 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 74.32 110.877 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 m -62.87 142.27 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 73.24 111.135 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -128.77 147.56 50.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 53.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG22 HG23 ' A' ' 62' ' ' ILE . 18.5 t -87.75 130.99 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.123 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 36' ' ' ILE . 3.6 mp -127.62 151.03 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 62.25 111.121 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.66 137.44 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 72.02 111.141 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.72 107.58 19.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 74.15 110.935 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.648 HG21 ' SG ' ' A' ' 19' ' ' CYS . 14.7 t -175.68 160.57 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.14 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -78.92 161.94 66.75 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 107.53 -1.285 . . . . 74.1 107.53 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.01 -8.96 25.03 Favored 'Trans proline' 0 C--N 1.355 0.899 1 C-N-CA 128.481 6.121 . . . . 50.41 112.412 -176.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.58 105.63 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.656 -0.783 . . . . 73.54 112.528 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 159.49 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.77 0 C-N-CA 129.087 2.955 . . . . 51.02 115.946 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.3 178.26 4.46 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 116.785 -1.677 . . . . 75.42 112.383 172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -89.73 63.19 6.06 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.947 -1.096 . . . . 64.14 112.159 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.648 ' SG ' HG21 ' A' ' 12' ' ' THR . 7.7 t -91.63 36.65 0.95 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.055 -1.028 . . . . 50.12 110.975 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -90.0 -24.63 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 72.04 111.067 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.52 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 55.45 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -60.54 -37.59 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 63.33 111.071 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.76 -24.68 41.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 74.53 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -54.68 -53.82 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 60.13 111.185 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.659 HD22 HD21 ' A' ' 73' ' ' LEU . 2.2 tt -70.37 -48.18 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' N ' HD23 ' A' ' 25' ' ' LEU . 15.9 mt -51.79 -42.18 62.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 51.53 110.923 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.67 -34.09 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.32 111.15 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.42 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 64.31 110.923 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.606 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.4 mtmp? -107.01 -16.01 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 74.51 110.843 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.06 79.04 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.748 -0.739 . . . . 72.13 112.467 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.25 156.69 9.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 70.2 111.132 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -93.94 125.22 38.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.913 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -129.33 152.6 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 65.43 110.959 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -127.58 128.43 45.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.812 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.94 156.83 19.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 71.45 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 9' ' ' ILE . 72.1 mt -139.04 139.67 39.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 74.12 111.203 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.96 95.27 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.8 180.0 4.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.986 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.3 21.24 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.854 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.39 -4.6 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 64.3 111.122 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.433 HG23 HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -174.03 152.14 1.85 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 22.41 111.209 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.68 -8.12 22.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.265 . . . . 74.42 112.38 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 -47.35 76.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.42 . . . . 71.4 110.82 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 44' ' ' LEU . 2.1 mm? -86.17 -47.03 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.883 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.45 -30.07 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -57.17 -56.08 26.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 25.13 111.043 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.75 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.904 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.1 ttm -63.25 -25.43 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 61.02 110.858 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.59 -25.7 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 64.53 110.903 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.61 -54.06 46.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.892 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.46 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.86 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 p 58.73 26.35 14.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.87 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.33 -142.25 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.732 -0.747 . . . . 74.34 112.441 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -56.25 158.09 4.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 72.13 110.818 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -125.39 20.97 7.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.539 0.685 . . . . 62.32 110.521 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 p -69.33 -34.83 75.22 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.433 -0.792 . . . . 60.24 111.159 -177.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -128.86 157.38 75.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 70.33 110.983 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 166.0 29.0 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 72.14 112.296 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -90.2 123.87 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 51.41 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.63 144.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.31 111.076 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 147.01 30.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.93 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.742 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.3 mt -145.39 118.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 60.44 111.122 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.38 -99.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 22.52 112.487 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.89 32.26 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 71.01 110.761 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 62' ' ' ILE . 7.1 p -116.45 150.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.7 128.47 44.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.852 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.2 t -131.53 124.32 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 53.24 111.129 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.6 -83.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 51.42 112.487 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.58 12.41 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.725 -0.75 . . . . 70.34 112.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -52.36 -30.17 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 41.31 110.932 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -52.02 -41.47 62.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 72.32 110.801 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.34 -46.41 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.659 HD21 HD22 ' A' ' 25' ' ' LEU . 1.9 tt -52.07 -40.43 61.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.942 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -70.92 -40.9 71.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.917 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.77 69.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 75.54 111.034 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.07 -41.8 88.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.952 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' CD ' HD12 ' A' ' 25' ' ' LEU . 35.8 tt0 -57.53 -30.2 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.844 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -50.01 13.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 62.34 110.919 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -62.24 -26.76 68.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 71.22 110.895 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.07 46.17 2.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.527 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.88 28.85 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 74.31 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.8 pp -87.85 -37.95 16.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 53.21 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' N ' HD12 ' A' ' 82' ' ' LEU . 2.2 t0 -54.74 -57.24 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.03 110.896 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -68.54 -20.43 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.1 tt -73.72 -49.09 27.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 62.12 110.911 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.4 pp -74.93 -16.33 60.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -40.22 11.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 62.41 110.986 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.63 -46.86 1.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.098 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.01 108.89 2.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 75.34 112.434 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -142.42 149.47 39.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 51.14 110.905 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -90.51 -22.98 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 53.13 110.954 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.246 0.9 0 C-N-CA 122.703 0.401 . . . . 64.45 110.235 -171.075 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 121.406 0.448 . . . . 61.24 112.458 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.575 2.183 . . . . 40.33 112.484 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.82 124.68 6.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 53.31 112.486 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.7 m -161.73 129.76 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 64.13 110.906 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 25.4 mtm -101.59 -171.68 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.848 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -62.96 142.25 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 73.24 111.141 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -128.76 147.55 50.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.422 HG22 HG23 ' B' ' 62' ' ' ILE . 18.6 t -87.77 131.0 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.421 HG21 HD11 ' B' ' 36' ' ' ILE . 3.6 mp -127.56 150.99 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 62.25 111.19 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.61 137.4 35.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 72.02 111.166 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.81 107.61 19.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.892 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.638 HG21 ' SG ' ' B' ' 19' ' ' CYS . 14.7 t -175.67 164.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.135 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -83.55 159.7 60.68 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 106.791 -1.559 . . . . 74.1 106.791 -175.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.4 -8.73 22.99 Favored 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 127.634 5.556 . . . . 50.41 112.369 -175.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.54 106.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 73.54 112.475 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 t 159.67 -49.58 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 C-N-CA 127.616 2.366 . . . . 51.02 116.008 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.13 179.07 2.08 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 116.54 -1.84 . . . . 75.42 112.371 173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.39 76.75 5.16 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.186 -1.413 . . . . 64.14 107.186 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.638 ' SG ' HG21 ' B' ' 12' ' ' THR . 7.8 t -103.06 36.7 2.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.601 . . . . 50.12 110.934 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' B' ' 24' ' ' ALA . . . -89.96 -24.6 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.04 111.146 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -77.54 -53.23 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 55.45 110.861 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.417 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -60.45 -37.64 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 63.33 111.15 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -79.75 -24.73 41.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' B' ' 20' ' ' ALA . . . -54.64 -53.77 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 60.13 111.153 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.664 HD22 HD21 ' B' ' 73' ' ' LEU . 2.2 tt -70.44 -48.23 56.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.874 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.487 ' N ' HD23 ' B' ' 25' ' ' LEU . 15.8 mt -51.83 -42.2 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 51.53 110.844 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.64 -33.94 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 73.32 111.179 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -25.48 64.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.31 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.599 ' HD2' HD13 ' B' ' 82' ' ' LEU . 4.4 mtmp? -106.95 -16.09 14.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.51 110.836 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.32 11.02 79.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 72.13 112.486 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.21 156.72 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 70.2 111.069 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -94.01 125.23 38.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.868 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.32 152.65 48.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 65.43 110.892 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -127.6 128.47 45.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.93 156.78 19.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 71.45 110.938 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.421 HD11 HG21 ' B' ' 9' ' ' ILE . 72.2 mt -139.02 139.69 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.166 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.98 95.24 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.858 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.73 179.97 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 73.54 111.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.28 21.35 12.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.848 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.403 ' C ' HG22 ' B' ' 41' ' ' THR . . . -123.44 -4.58 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.3 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.432 HG23 HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -174.0 152.18 1.87 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 22.41 111.175 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' B' ' 46' ' ' ALA . 54.4 Cg_endo -69.66 -8.26 23.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 74.42 112.389 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -47.53 76.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.804 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 44' ' ' LEU . 2.1 mm? -86.13 -47.09 9.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.21 110.906 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -52.43 -30.01 27.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -57.26 -56.02 27.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 25.13 111.057 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -47.81 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 53.2 ttm -63.19 -25.45 68.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 61.02 110.865 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -65.57 -25.7 67.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.53 110.949 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.56 -54.2 44.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.867 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -103.43 -59.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.89 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.2 p 58.62 26.48 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.835 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.4 -142.24 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.663 -0.779 . . . . 74.34 112.384 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -56.15 158.75 3.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 72.13 110.863 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -125.17 19.26 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.321 -0.854 . . . . 62.32 111.5 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 4.5 p -68.91 -34.71 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.953 -0.467 . . . . 60.24 111.155 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -129.0 157.39 75.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 70.33 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 166.08 28.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.709 2.273 . . . . 72.14 112.33 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -90.29 123.83 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 51.41 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.9 mm -95.63 144.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.088 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -146.76 146.94 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.848 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.765 ' O ' HG12 ' B' ' 65' ' ' VAL . 9.1 mt -145.26 118.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 60.44 111.242 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.29 -99.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 22.52 112.543 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -132.83 32.2 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 71.01 110.759 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.765 HG12 ' O ' ' B' ' 62' ' ' ILE . 7.0 p -116.5 150.02 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 75.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.8 128.41 45.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.768 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 36.5 t -131.44 124.34 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.58 -83.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 51.42 112.533 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.09 -164.57 12.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.442 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -52.37 -30.27 28.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 41.31 110.891 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -51.96 -41.42 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 72.32 110.801 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -86.43 -46.41 10.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 65.25 110.835 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.664 HD21 HD22 ' B' ' 25' ' ' LEU . 1.9 tt -52.11 -40.44 61.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.927 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -70.85 -40.96 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.912 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.44 -46.66 69.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 75.54 111.09 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.11 -41.83 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.937 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.426 ' CD ' HD12 ' B' ' 25' ' ' LEU . 35.7 tt0 -57.54 -30.12 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.864 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.49 -50.16 13.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 62.34 110.821 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -62.15 -26.8 68.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.891 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.01 46.25 2.9 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.7 -0.762 . . . . 74.3 112.512 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -129.92 28.85 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.31 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.599 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.8 pp -87.8 -37.89 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 53.21 110.959 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.446 ' N ' HD12 ' B' ' 82' ' ' LEU . 2.1 t0 -54.77 -57.27 12.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.91 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -68.52 -20.45 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 61.42 110.803 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.449 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.1 tt -73.71 -49.05 27.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 62.12 110.871 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.449 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.4 pp -75.01 -16.24 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.871 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.2 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 62.41 110.912 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -128.56 -46.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.423 . . . . 71.23 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.94 108.93 2.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 75.34 112.481 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -142.47 149.53 39.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 51.14 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.558 ' H ' HD23 ' B' ' 91' ' ' LEU . 1.0 OUTLIER -90.56 -23.61 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 53.13 110.983 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--O 1.248 0.977 0 N-CA-C 106.015 -1.846 . . . . 64.45 106.015 -172.714 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.437 0.465 . . . . 60.25 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 126.66 13.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 73.3 112.372 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.62 155.22 16.4 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.812 -0.709 . . . . 70.41 112.516 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 m -113.66 74.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 73.4 110.862 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 17.4 ptm -173.06 149.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 71.42 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.9 m -63.66 -175.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 74.1 111.087 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.09 152.09 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.551 HG22 HG22 ' A' ' 62' ' ' ILE . 22.9 t -90.2 136.17 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.089 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.44 136.73 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 52.02 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.508 HG21 ' CE ' ' A' ' 23' ' ' LYS . 13.7 tt -124.24 135.71 62.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 73.32 111.15 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.83 101.07 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.59 148.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 73.11 111.122 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.6 159.95 1.53 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 74.15 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 79.93 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.701 2.268 . . . . 54.21 112.37 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.83 100.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 52.02 112.505 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.546 ' CB ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 m 179.94 -55.96 0.0 OUTLIER Pre-proline 0 CA--C 1.586 2.358 0 O-C-N 116.961 -3.67 . . . . 63.0 105.823 -159.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 16' ' ' CYS . 53.1 Cg_endo -95.63 -172.66 0.24 Allowed 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 132.933 9.089 . . . . 62.13 112.393 -177.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -79.82 54.07 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.553 0.692 . . . . 75.54 111.959 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.99 29.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.06 -1.025 . . . . 75.03 110.881 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.59 -26.09 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 53.24 111.09 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -62.43 -58.74 6.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.888 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.56 73.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 54.23 111.104 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' CE ' HG21 ' A' ' 10' ' ' ILE . 18.2 mmtp -60.56 -44.71 95.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 61.12 110.916 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 -57.27 9.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 63.04 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.029 HD22 HD21 ' A' ' 73' ' ' LEU . 3.3 tt -57.13 -44.8 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 50.32 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 31' ' ' ALA . 7.4 mt -55.71 -28.47 55.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.928 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.78 -23.36 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 74.35 111.17 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.41 -25.08 59.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 65.23 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HD2' HD13 ' A' ' 82' ' ' LEU . 6.4 ptmt -112.86 11.3 19.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 73.11 110.819 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.02 50.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 51.43 112.45 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -84.43 155.23 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 73.11 111.066 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.78 122.11 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 65.2 110.889 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -125.26 153.81 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.893 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.72 119.04 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.3 154.95 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 64.3 110.79 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.573 HG21 HD11 ' A' ' 44' ' ' LEU . 61.3 mt -137.9 143.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 74.42 111.096 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.29 89.96 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 64.42 110.804 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.86 178.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 54.12 111.111 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 t 63.09 17.02 9.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.865 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.54 -10.23 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -164.7 154.4 11.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 62.52 111.172 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.75 -8.06 22.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.654 2.236 . . . . 74.41 112.285 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.1 -49.18 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 65.33 110.967 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.573 HD11 HG21 ' A' ' 36' ' ' ILE . 4.0 mm? -60.89 -57.26 13.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.873 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -25.71 59.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.55 110.889 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -69.58 -41.6 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.41 111.06 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.42 -36.0 71.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 74.02 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.8 mtm -78.94 -27.57 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.15 110.905 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.51 -26.85 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 65.25 110.911 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -52.11 -43.2 63.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -107.02 -59.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.44 110.926 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.63 50.99 10.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 70.41 110.945 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.35 -153.74 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 53.34 112.518 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -57.72 176.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 72.24 110.791 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' B' ' 18' ' ' TYR . 23.6 m120 -129.17 27.74 5.34 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.222 -1.549 . . . . 75.22 110.372 177.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.71 -45.62 35.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 61.1 111.148 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.86 157.39 71.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.658 0.742 . . . . 71.44 110.905 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.8 174.66 9.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 61.2 112.35 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.98 128.16 45.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.48 HD13 HG13 ' A' ' 10' ' ' ILE . 42.0 mm -101.57 144.9 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 60.44 111.146 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.06 124.31 21.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.04 110.881 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.682 HD13 HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -129.65 99.32 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 64.31 111.116 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.97 52.44 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.5 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.3 m 59.33 21.27 9.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 74.2 110.789 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.71 143.56 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.064 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.56 120.43 29.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 42.22 110.857 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.8 128.7 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.14 111.232 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.54 -43.82 36.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.719 . . . . 44.34 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.01 -158.23 27.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.21 112.503 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.86 -34.54 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 65.15 110.889 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.91 -46.97 64.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.4 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -83.7 -45.18 13.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 53.44 110.81 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.029 HD21 HD22 ' A' ' 25' ' ' LEU . 5.0 tt -51.51 -42.19 61.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 51.42 110.92 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -67.08 -42.28 84.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.957 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.42 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 70.55 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -56.11 -46.07 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 45.43 110.902 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.42 -36.7 84.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 62.31 110.876 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.87 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 65.35 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.97 -30.1 69.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.31 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.29 51.65 0.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 72.2 112.515 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -129.96 23.93 5.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.849 0.357 . . . . 71.22 110.965 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 ' HD2' ' A' ' 29' ' ' LYS . 2.9 pp -83.4 -32.46 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.959 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.09 -49.72 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.786 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.95 -25.97 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.825 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.682 HD12 HD13 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -65.49 -45.23 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.982 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 -9.96 59.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 70.33 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -33.74 14.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 75.45 110.889 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.09 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 65.11 111.162 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.612 ' CA ' HD12 ' A' ' 62' ' ' ILE . . . 96.7 106.85 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 75.44 112.449 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.28 131.91 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 50.44 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -79.85 -33.65 40.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 61.34 110.886 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.477 0.875 0 O-C-N 118.694 -2.504 . . . . 74.35 109.385 -173.839 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 121.411 0.451 . . . . 60.25 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 126.66 13.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.624 2.216 . . . . 73.3 112.365 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.72 155.2 16.43 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 70.41 112.483 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 62.3 m -113.59 74.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 73.4 110.874 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 17.4 ptm -173.13 149.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 71.42 110.868 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.56 -175.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 74.1 111.123 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.06 152.07 30.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 71.3 110.862 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.56 HG22 HG22 ' B' ' 62' ' ' ILE . 23.4 t -90.26 136.2 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.3 111.097 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.42 136.74 54.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.02 111.079 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.501 HG21 ' CE ' ' B' ' 23' ' ' LYS . 13.7 tt -124.27 135.67 62.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.32 111.157 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -92.84 101.16 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.7 t -174.62 148.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 73.11 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.41 ' NH2' ' SG ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -52.66 159.91 1.57 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 74.15 110.858 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 79.81 0.91 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.748 2.299 . . . . 54.21 112.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.87 111.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 52.02 112.506 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m 158.23 -46.11 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.922 0 C-N-CA 129.081 2.952 . . . . 63.0 115.515 172.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -67.21 -169.03 0.18 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 116.142 -2.105 . . . . 62.13 112.34 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 55' ' ' ASN . 16.5 m-85 -91.06 59.96 4.18 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 120.687 -1.258 . . . . 75.54 108.269 -175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 p -115.87 29.82 7.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.834 -1.075 . . . . 75.03 110.9 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.53 -26.12 28.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 53.24 111.187 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 65.2 mmt-85 -62.37 -58.84 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.847 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -47.57 73.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 54.23 111.037 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.501 ' CE ' HG21 ' B' ' 10' ' ' ILE . 18.3 mmtp -60.62 -44.75 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 61.12 110.866 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 -57.19 10.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 63.04 111.102 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 1.055 HD22 HD21 ' B' ' 73' ' ' LEU . 3.3 tt -57.24 -44.72 84.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 50.32 110.96 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' B' ' 31' ' ' ALA . 7.4 mt -55.74 -28.44 55.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.917 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 -23.36 39.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.11 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -74.43 -25.12 59.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 65.23 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.628 ' HD2' HD13 ' B' ' 82' ' ' LEU . 6.4 ptmt -112.83 11.24 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.863 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.04 40.05 50.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.494 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.556 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -84.49 155.29 22.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.676 0.274 . . . . 73.11 111.124 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -99.87 122.11 42.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.883 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -125.26 153.72 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.897 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -126.66 119.04 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.877 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -83.3 154.97 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 64.3 110.874 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.578 HG21 HD11 ' B' ' 44' ' ' LEU . 61.3 mt -137.9 143.53 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 74.42 111.149 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.36 90.03 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 178.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 54.12 111.072 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t 63.16 16.99 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.868 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.56 -10.17 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.42 111.173 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.527 HG23 HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -164.71 154.34 11.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.585 0.707 . . . . 62.52 111.111 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' B' ' 46' ' ' ALA . 53.9 Cg_endo -69.72 -7.95 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 74.41 112.368 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.24 -49.13 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.33 110.895 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.578 HD11 HG21 ' B' ' 36' ' ' ILE . 4.0 mm? -60.89 -57.32 13.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 73.13 110.896 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -25.81 59.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.854 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -69.6 -41.59 75.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 71.41 111.011 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -71.43 -35.92 71.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.6 mtm -79.0 -27.6 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 65.15 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -64.43 -26.92 68.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 65.25 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.99 -43.25 63.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.955 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -107.0 -60.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 75.44 110.896 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t 57.68 51.07 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 70.41 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.39 -153.79 3.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 53.34 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -57.65 174.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 72.24 110.802 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -126.22 26.0 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.633 -1.292 . . . . 75.22 110.49 177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 p -75.77 -45.62 35.28 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.047 -0.408 . . . . 61.1 111.164 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -126.8 157.44 71.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.71 0.767 . . . . 71.44 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.47 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.6 Cg_endo -69.84 174.64 9.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.709 2.273 . . . . 61.2 112.345 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -98.9 128.16 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.469 HD13 HG13 ' B' ' 10' ' ' ILE . 41.7 mm -101.55 144.96 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 60.44 111.12 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.17 124.33 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.674 HD13 HD12 ' B' ' 85' ' ' LEU . 1.0 OUTLIER -129.62 99.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 64.31 111.125 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.99 52.47 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 71.45 112.454 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 69.1 m 59.27 21.29 9.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.953 0.406 . . . . 74.2 110.879 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.71 143.65 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 72.44 111.068 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -88.57 120.48 29.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 42.22 110.833 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.91 128.74 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.119 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.53 -43.8 36.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 44.34 112.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.02 -158.23 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 73.21 112.487 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.5 p -51.95 -34.47 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.15 110.891 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -51.92 -47.03 64.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 74.4 110.813 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -83.73 -45.06 13.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 53.44 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 1.055 HD21 HD22 ' B' ' 25' ' ' LEU . 5.0 tt -51.66 -42.02 61.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 51.42 110.891 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -67.24 -42.17 84.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.932 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.43 74.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 70.55 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 45.43 110.951 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -63.39 -36.75 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.865 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.82 -53.5 56.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.847 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.0 -30.01 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.912 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.24 51.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 72.2 112.462 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -130.02 23.95 5.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 71.22 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.628 HD13 ' HD2' ' B' ' 29' ' ' LYS . 2.8 pp -83.33 -32.41 26.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.969 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.11 -49.7 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.767 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 23.4 m -74.87 -26.0 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.674 HD12 HD13 ' B' ' 62' ' ' ILE . 0.8 OUTLIER -65.45 -45.35 84.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.86 -10.01 59.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 70.33 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -33.75 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.876 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 1.7 t -147.08 -41.67 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 65.11 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.606 ' CA ' HD12 ' B' ' 62' ' ' ILE . . . 96.65 106.9 2.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.827 -0.701 . . . . 75.44 112.43 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.2 131.93 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 50.44 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.511 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.6 OUTLIER -79.85 -27.39 40.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 61.34 110.865 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 N--CA 1.48 1.064 0 O-C-N 118.471 -2.643 . . . . 74.35 112.188 166.126 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 121.5 0.5 . . . . 52.25 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.41 42.18 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.628 2.219 . . . . 65.11 112.319 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.55 163.04 23.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.67 -0.776 . . . . 53.15 112.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -107.3 111.17 23.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.935 0.398 . . . . 54.35 110.839 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.1 ptm -161.87 170.27 19.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 60.42 110.863 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m -118.4 -174.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 71.54 111.101 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.97 137.49 51.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.854 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.53 147.62 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.127 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.95 150.12 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 65.42 111.098 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.01 135.84 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 65.24 111.224 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CE1' HD12 ' A' ' 36' ' ' ILE . 12.3 m-85 -93.27 108.2 19.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.901 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.78 166.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 74.11 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.21 159.51 84.26 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.582 0.706 . . . . 74.32 110.91 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 79.1 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 75.01 112.385 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.52 109.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 63.45 112.526 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m 156.01 -42.27 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.945 0 C-N-CA 128.878 2.871 . . . . 71.33 116.986 171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.95 -175.23 0.74 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 115.872 -2.285 . . . . 74.44 112.309 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -84.15 56.67 3.84 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.848 -1.158 . . . . 64.32 110.874 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.86 -7.33 18.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.146 -0.971 . . . . 65.24 110.856 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.46 -30.05 18.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 51.03 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -61.25 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 71.24 110.947 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.23 66.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.157 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.52 -46.44 82.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -58.79 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 63.43 111.126 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.7 tp -51.99 -54.05 34.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 62.33 110.859 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.572 HD13 ' CG ' ' A' ' 33' ' ' PHE . 11.3 mt -55.23 -38.0 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 72.2 110.869 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.2 -44.85 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 45.31 111.136 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -46.4 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.895 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HZ2' HD23 ' A' ' 86' ' ' LEU . 13.9 mtmt -81.96 0.28 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.89 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.74 15.95 49.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 72.1 112.475 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.84 168.9 7.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.77 0.319 . . . . 53.44 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.08 140.53 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.918 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CG ' HD13 ' A' ' 26' ' ' LEU . 14.1 p90 -143.87 157.69 44.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.871 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.68 129.37 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 35.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.7 153.38 21.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' CE1' ' A' ' 11' ' ' TYR . 68.9 mt -129.45 113.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.073 -0.512 . . . . 50.41 111.147 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.18 105.82 1.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.858 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.31 178.04 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.132 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.69 28.93 16.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.899 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.54 -39.33 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.3 111.013 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.76 147.45 62.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 74.31 111.131 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.98 37.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.607 2.205 . . . . 72.0 112.374 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.08 -27.37 42.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 mt -82.06 -59.55 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 62.42 110.921 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -30.65 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.81 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.29 95.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 41.12 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -61.74 -50.99 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.869 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -68.98 -25.97 64.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 65.32 111.022 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.93 -26.0 64.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.966 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.07 -57.99 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.1 110.825 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -28.41 17.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.795 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 p 51.94 37.91 22.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.61 174.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 73.23 112.417 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -53.68 174.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 74.43 110.857 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -113.47 17.19 18.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.572 -1.194 . . . . 52.51 111.273 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -84.91 -38.85 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.93 -0.481 . . . . 72.34 111.257 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.15 157.3 77.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.667 0.746 . . . . 74.33 110.799 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.25 4.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 72.2 112.381 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.79 132.68 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 65.42 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mm -102.93 144.24 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.63 127.88 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.841 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 90' ' ' LYS . 4.3 pt -130.66 108.25 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.142 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.31 -118.58 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 53.11 112.511 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.09 31.55 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 72.32 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.87 HG13 HD23 ' A' ' 91' ' ' LEU . 39.7 t -127.8 131.61 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 63.35 111.142 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -85.75 151.34 23.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.1 t -141.36 131.71 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.17 -56.29 15.3 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 64.23 112.495 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.68 -138.45 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 73.01 112.494 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 p -71.03 -40.29 71.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 51.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.88 -41.08 61.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.61 -44.19 10.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.833 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.73 -42.42 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.975 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.45 -34.34 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 51.32 110.972 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.3 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 50.53 111.129 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.91 92.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.907 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' OE1' HD22 ' A' ' 82' ' ' LEU . 30.4 mm-40 -60.38 -31.06 69.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.874 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.14 -40.8 26.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.13 -30.11 70.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.903 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.29 41.53 1.9 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.792 -0.718 . . . . 13.11 112.51 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -129.98 30.2 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 73.21 110.929 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.515 HD22 ' OE1' ' A' ' 77' ' ' GLU . 3.9 pp -84.53 -40.42 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.04 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 82' ' ' LEU . 18.0 t70 -51.36 -35.35 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.9 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.87 -21.24 23.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.861 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.56 -44.17 35.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.903 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.502 HD23 ' HZ2' ' A' ' 29' ' ' LYS . 4.6 pp -80.77 -18.52 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 70.03 110.92 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.92 -27.22 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 63.21 110.877 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.3 p -146.11 -49.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.54 111.121 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 103.8 110.18 3.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 72.54 112.514 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.544 ' N ' HD12 ' A' ' 62' ' ' ILE . 19.6 ttmt -142.65 160.49 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 74.14 110.944 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.87 HD23 HG13 ' A' ' 65' ' ' VAL . 1.6 pp -100.72 -13.97 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.899 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.939 1.088 . . . . 64.31 113.939 -170.635 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 121.444 0.469 . . . . 52.25 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.32 42.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.688 2.259 . . . . 65.11 112.406 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.49 163.01 23.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 53.15 112.465 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -107.31 111.19 23.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.95 0.405 . . . . 54.35 110.887 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 14.1 ptm -161.85 170.18 19.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 60.42 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 m -118.31 -174.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.116 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.96 137.35 51.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.894 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 t -95.48 147.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.3 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -139.98 150.21 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 65.42 111.073 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 tt -138.09 135.74 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 65.24 111.182 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -93.2 108.08 19.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.917 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.67 166.57 3.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 74.11 111.112 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -70.2 159.61 83.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 74.32 110.852 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 79.1 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 75.01 112.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.61 108.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.8 -0.714 . . . . 63.45 112.441 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m 160.19 -49.49 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 C-N-CA 128.744 2.818 . . . . 71.33 114.458 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.49 -173.59 0.47 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 116.772 -1.685 . . . . 74.44 112.319 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -85.39 56.77 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.674 0.75 . . . . 64.32 111.52 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 25.5 p -107.36 -7.26 16.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 65.24 110.855 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -30.12 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 51.03 111.142 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -61.37 2.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -33.11 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 72.42 111.147 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -64.6 -46.41 82.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.891 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.48 -58.81 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 63.43 111.122 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.512 HD21 ' CD ' ' B' ' 77' ' ' GLU . 1.7 tp -52.03 -53.93 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.911 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.565 HD13 ' CG ' ' B' ' 33' ' ' PHE . 11.2 mt -55.27 -38.06 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.2 110.903 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.96 82.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 45.31 111.069 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -46.4 88.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 74.1 110.942 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HD2' HD13 ' B' ' 82' ' ' LEU . 13.8 mtmt -81.96 0.37 40.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.861 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.67 16.01 49.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 72.1 112.494 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 168.87 7.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.719 0.295 . . . . 53.44 111.06 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.14 140.68 40.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.846 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.565 ' CG ' HD13 ' B' ' 26' ' ' LEU . 14.0 p90 -143.9 157.77 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.858 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -135.74 129.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 35.34 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.79 153.37 21.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.786 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -129.39 113.72 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 50.41 111.177 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.1 105.83 1.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.891 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.44 178.01 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 71.11 111.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m 62.77 28.84 16.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.853 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 -39.24 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 53.3 111.088 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.78 147.42 62.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 74.31 111.151 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.89 36.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 72.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.18 -27.34 42.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -82.11 -59.56 2.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 62.42 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -30.63 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.92 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.24 95.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.507 . . . . 41.12 111.126 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -61.9 -50.86 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 72.21 110.875 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mtm -69.05 -25.93 64.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.961 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -68.95 -25.98 64.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.32 110.933 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -52.16 -57.95 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.1 110.781 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -28.44 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p 51.98 37.76 21.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.838 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.53 174.53 0.38 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 73.23 112.46 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -53.6 171.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 74.43 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -109.97 16.43 21.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.37 0.605 . . . . 52.51 112.164 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.8 p -78.56 -38.92 39.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.721 -0.612 . . . . 72.34 111.163 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -135.09 157.25 77.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.601 0.715 . . . . 74.33 110.84 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.2 4.79 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.626 2.217 . . . . 72.2 112.343 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -102.77 132.7 48.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 65.42 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mm -102.98 144.35 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.34 111.147 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -133.62 127.9 33.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.853 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.553 HD12 ' N ' ' B' ' 90' ' ' LYS . 4.3 pt -130.7 108.2 15.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.118 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.28 -118.48 8.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 53.11 112.553 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.6 t -107.15 31.53 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 72.32 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.897 HG13 HD23 ' B' ' 91' ' ' LEU . 39.8 t -127.82 131.68 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 63.35 111.131 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -85.71 151.25 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 74.14 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 t -141.32 131.82 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.104 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.15 -56.27 15.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.23 112.611 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.67 -138.44 4.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.687 -0.768 . . . . 73.01 112.533 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.7 p -71.19 -40.19 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 51.0 110.808 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -51.9 -41.09 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -44.3 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.821 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.77 -42.35 62.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.858 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.5 -34.32 60.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 51.32 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 50.53 111.029 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.39 -43.77 93.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 73.41 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.512 ' CD ' HD21 ' B' ' 25' ' ' LEU . 30.4 mm-40 -60.43 -31.14 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.85 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.11 -40.77 26.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.24 -30.02 69.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.85 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.51 1.91 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 13.11 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -130.05 30.24 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.927 0.394 . . . . 73.21 110.939 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.512 HD22 ' OE1' ' B' ' 77' ' ' GLU . 3.9 pp -84.5 -40.41 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 62.04 110.974 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.493 ' N ' HD12 ' B' ' 82' ' ' LEU . 18.0 t70 -51.34 -35.43 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.904 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -88.73 -21.33 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.2 110.848 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 4.1 tt -76.65 -44.07 35.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.472 HD23 ' HZ2' ' B' ' 29' ' ' LYS . 4.6 pp -80.79 -18.52 47.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 70.03 110.917 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -88.87 -27.38 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 63.21 110.886 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 39.0 p -146.04 -49.19 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.54 111.118 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.528 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 103.82 110.27 3.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.827 -0.701 . . . . 72.54 112.483 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . 0.553 ' N ' HD12 ' B' ' 62' ' ' ILE . 19.6 ttmt -142.71 160.47 40.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.761 0.315 . . . . 74.14 110.954 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.897 HD23 HG13 ' B' ' 65' ' ' VAL . 1.6 pp -100.73 -19.28 16.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 70.22 110.875 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.244 0.776 0 CA-C-O 117.126 -1.416 . . . . 64.31 110.368 -172.618 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.45 0.472 . . . . 53.01 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.35 27.82 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.599 2.199 . . . . 74.42 112.398 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.44 126.66 43.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 64.42 112.539 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.6 m -90.3 -177.69 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 73.33 110.852 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptm -152.33 174.01 14.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.895 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 88' ' ' THR . 2.4 t -97.21 163.49 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.408 . . . . 73.54 111.097 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' H ' HG12 ' A' ' 6' ' ' VAL . 2.1 t70 -147.93 147.89 30.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 62.34 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.669 HG22 HG22 ' A' ' 62' ' ' ILE . 22.5 t -99.01 147.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 54.21 111.13 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' ILE . 3.5 mp -133.33 152.22 35.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.128 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.558 HD13 ' HE3' ' A' ' 23' ' ' LYS . 17.9 tt -132.92 135.97 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.35 111.108 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 36' ' ' ILE . 9.6 m-85 -94.36 104.86 16.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.71 154.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 62.04 111.122 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 160.43 16.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 75.43 110.842 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.93 -12.6 32.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.654 2.236 . . . . 74.03 112.268 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 171.8 106.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 62.44 112.499 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.956 ' HA ' HH21 ' B' ' 13' ' ' ARG . 1.5 m 168.26 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.314 -0.975 0 N-CA-C 117.873 2.546 . . . . 74.1 117.873 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.5 -173.39 0.97 Allowed 'Trans proline' 0 C--N 1.331 -0.372 0 C-N-CA 121.172 1.248 . . . . 74.1 112.315 173.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.94 61.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 120.706 -1.246 . . . . 72.32 112.03 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.33 34.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.331 -0.856 . . . . 73.44 110.932 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.98 -26.99 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 74.45 111.157 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 14.6 mmt180 -64.95 -63.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.02 -40.13 60.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 74.43 111.17 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.558 ' HE3' HD13 ' A' ' 10' ' ' ILE . 14.2 mmtp -71.72 -29.72 64.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -52.71 -56.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 65.2 111.072 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD22 HD11 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -57.12 -53.54 56.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.911 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 31' ' ' ALA . 4.9 mt -56.97 -25.32 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.15 110.935 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.84 -23.46 41.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 43.02 111.093 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -76.3 -33.98 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.842 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.67 ' HE2' HD13 ' A' ' 82' ' ' LEU . 3.7 ptpp? -112.43 12.21 20.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.15 110.842 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.11 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.646 -0.788 . . . . 45.45 112.537 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -54.75 166.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.346 . . . . 61.31 111.1 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.05 118.57 37.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -130.64 159.05 38.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.29 125.19 25.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.841 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.46 155.46 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.631 HD11 HG21 ' A' ' 9' ' ' ILE . 74.2 mt -132.33 121.4 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 42.14 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.8 103.56 7.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 74.52 110.795 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.87 179.75 7.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.25 27.4 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 53.03 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.71 -34.01 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.022 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.84 147.69 65.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 71.34 111.138 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.65 -15.96 37.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 62.5 112.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.01 -26.2 39.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 64.45 110.827 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 mt -89.77 -52.61 4.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.251 -0.431 . . . . 61.24 110.926 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 12.7 ptm180 -56.28 -28.63 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 72.45 110.917 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.86 -21.48 44.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 75.11 111.157 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.32 -35.05 68.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.874 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.28 -19.94 32.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.05 110.817 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.38 -24.1 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.418 . . . . 52.32 110.89 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -83.04 -43.46 16.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -89.79 10.01 25.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 63.24 110.794 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.82 129.39 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.906 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.14 -102.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 75.12 112.546 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.834 ' NH1' HH11 ' B' ' 54' ' ' ARG . 10.3 mmt180 -83.1 -31.95 27.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.337 . . . . 74.23 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.52 35.81 20.11 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.609 1.164 . . . . 54.43 110.395 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 p -78.3 -44.55 25.0 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.452 0.701 . . . . 75.32 111.079 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -127.0 157.47 71.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.586 0.707 . . . . 72.33 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.8 Cg_endo -69.87 -179.73 3.17 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.642 2.228 . . . . 71.2 112.31 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.31 152.06 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.25 110.939 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -116.77 144.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.42 111.198 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -132.22 105.97 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 75.4 110.916 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.789 HD13 HD12 ' A' ' 85' ' ' LEU . 4.8 pt -115.17 125.98 72.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 70.24 111.182 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.39 39.63 59.76 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.741 -0.742 . . . . 73.23 112.605 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.4 m 63.74 25.18 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 72.15 110.794 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.2 t -106.27 148.41 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.01 111.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -84.99 129.39 34.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.886 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 69' ' ' GLY . 60.1 t -128.82 132.78 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 72.21 111.153 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.91 -29.82 14.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 63.15 112.54 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.703 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 129.58 -157.64 21.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 74.33 112.454 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.78 -35.82 45.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 62.45 110.896 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.08 -50.61 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 61.52 110.874 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.56 -44.44 19.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.932 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 25' ' ' LEU . 1.7 tt -51.43 -42.36 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 71.41 110.895 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.17 -41.78 89.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.87 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.83 -40.1 72.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.55 111.047 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.3 mt -61.45 -39.63 91.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 70.5 110.935 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' OE1' HD22 ' A' ' 82' ' ' LEU . 8.8 tp10 -59.5 -32.84 70.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.841 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -55.73 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.912 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.1 -29.84 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.01 111.006 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.82 48.44 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 74.1 112.471 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -127.84 25.34 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 64.34 110.907 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.67 HD13 ' HE2' ' A' ' 29' ' ' LYS . 4.0 pp -79.49 -36.38 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.948 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.441 ' N ' HD12 ' A' ' 82' ' ' LEU . 14.5 t70 -56.46 -51.72 67.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 62.12 110.887 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.81 -25.48 65.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 63.33 110.832 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 HD13 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -69.88 -51.04 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 74.03 110.954 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -78.9 -9.75 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 55.55 110.988 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -25.46 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 61.44 110.803 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.674 ' HA ' HG21 ' A' ' 6' ' ' VAL . 30.9 p -147.07 -46.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 45.13 111.095 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.62 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 83.16 104.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 52.13 112.538 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.52 172.52 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.816 0.341 . . . . 70.13 110.919 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 -24.82 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.23 110.883 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.9 mt . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.806 -1.568 . . . . 63.11 111.587 -166.815 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 121.412 0.451 . . . . 53.01 112.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.44 27.52 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.637 2.224 . . . . 74.42 112.372 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 126.6 42.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.776 -0.726 . . . . 64.42 112.489 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.4 m -90.2 -177.73 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 73.33 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 8.2 ptm -152.34 173.99 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.878 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.668 HG21 ' HA ' ' B' ' 88' ' ' THR . 2.4 t -97.13 163.52 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 73.54 111.132 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.404 ' H ' HG12 ' B' ' 6' ' ' VAL . 2.2 t70 -147.96 147.88 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 62.34 110.901 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.677 HG22 HG22 ' B' ' 62' ' ' ILE . 22.4 t -99.03 147.26 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 54.21 111.107 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.615 HG21 HD11 ' B' ' 36' ' ' ILE . 3.5 mp -133.35 152.24 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.52 111.118 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.566 HD13 ' HE3' ' B' ' 23' ' ' LYS . 17.9 tt -132.94 135.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 71.35 111.117 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' B' ' 36' ' ' ILE . 9.6 m-85 -94.33 104.77 16.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.84 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -175.65 154.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 62.04 111.121 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.956 HH21 ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -60.13 160.45 16.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.631 0.729 . . . . 75.43 110.823 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -12.71 33.31 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.711 2.274 . . . . 74.03 112.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 171.81 110.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 62.44 112.455 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.304 14.7 t 135.42 -0.83 0.0 OUTLIER Pre-proline 0 CA--C 1.573 1.843 1 C-N-CA 132.76 4.424 . . . . 74.1 121.177 153.902 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -67.98 -173.24 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 114.632 -3.112 . . . . 74.1 112.34 148.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -107.2 65.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.762 0.792 . . . . 72.32 111.723 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.5 p -93.98 34.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.291 -0.881 . . . . 73.44 110.834 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.02 -27.02 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.108 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -64.87 -63.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.54 110.913 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.04 -40.13 60.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.093 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.566 ' HE3' HD13 ' B' ' 10' ' ' ILE . 14.3 mmtp -71.77 -29.71 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.895 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.68 -56.45 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 65.2 111.154 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.612 HD22 HD21 ' B' ' 73' ' ' LEU . 0.7 OUTLIER -57.17 -53.52 57.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.932 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' B' ' 31' ' ' ALA . 4.8 mt -56.97 -25.24 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.009 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.86 -23.47 41.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 43.02 111.138 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -76.31 -33.88 59.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.69 ' HE2' HD13 ' B' ' 82' ' ' LEU . 3.7 ptpp? -112.44 12.16 20.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 72.15 110.858 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.82 28.01 22.31 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.717 -0.754 . . . . 45.45 112.447 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.643 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -54.76 165.98 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 61.31 111.086 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -102.02 118.48 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.893 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -130.6 159.05 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -135.31 125.14 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.918 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.43 155.45 31.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.885 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.615 HD11 HG21 ' B' ' 9' ' ' ILE . 73.8 mt -132.31 121.36 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 42.14 111.095 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.77 103.58 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.844 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.92 179.81 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.125 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.0 t 63.2 27.35 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 53.03 110.819 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.64 -34.02 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 72.33 111.049 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.74 147.7 65.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 71.34 111.129 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.402 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 54.8 Cg_endo -69.65 -15.95 37.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.717 2.278 . . . . 62.5 112.4 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -80.04 -26.21 39.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.78 -52.6 4.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 61.24 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 12.7 ptm180 -56.11 -28.73 58.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.945 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.82 -21.58 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.167 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -72.17 -35.2 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -84.16 -19.89 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.05 110.966 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -63.37 -24.12 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 52.32 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -83.01 -43.6 16.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.848 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -89.64 10.05 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 63.24 110.926 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -58.84 129.38 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 61.24 110.877 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.17 -102.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 75.12 112.485 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.834 HH11 ' NH1' ' A' ' 54' ' ' ARG . 10.3 mmt180 -83.01 -30.58 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 74.23 110.91 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m120 62.09 29.53 17.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.088 1.355 . . . . 54.43 112.038 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -75.1 -44.42 47.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.393 . . . . 75.32 111.158 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -127.07 157.37 72.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 72.33 110.931 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.423 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.3 Cg_endo -69.72 -179.76 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.702 2.268 . . . . 71.2 112.363 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -104.32 152.03 22.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 mm -116.85 144.43 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.046 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -132.26 105.99 7.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.4 110.927 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.796 HD13 HD12 ' B' ' 85' ' ' LEU . 4.8 pt -115.17 125.97 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 70.24 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.36 39.74 59.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 73.23 112.508 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m 63.65 25.17 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 72.15 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 36.6 t -106.24 148.45 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 70.01 111.174 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -85.05 129.39 34.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 73.12 110.788 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.698 HG12 ' H ' ' B' ' 69' ' ' GLY . 61.5 t -128.86 132.81 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 72.21 111.117 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.85 14.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 63.15 112.436 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.698 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 129.62 -157.67 21.89 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.773 -0.727 . . . . 74.33 112.421 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -51.77 -35.86 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 62.45 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.05 -50.54 61.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 61.52 110.84 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -80.64 -44.49 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.873 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.612 HD21 HD22 ' B' ' 25' ' ' LEU . 1.7 tt -51.36 -42.45 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.882 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.13 -41.74 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.89 72.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.55 111.087 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.4 HD12 HD13 ' B' ' 85' ' ' LEU . 61.3 mt -61.59 -39.49 91.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.955 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.53 -32.84 70.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.82 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -55.7 5.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.874 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.16 -29.76 68.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.922 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.71 48.52 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 74.1 112.465 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -127.85 25.36 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 64.34 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' B' ' 29' ' ' LYS . 4.0 pp -79.52 -36.49 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.52 110.841 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.451 ' N ' HD12 ' B' ' 82' ' ' LEU . 14.5 t70 -56.42 -51.76 67.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.12 110.867 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -67.69 -25.57 65.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 63.33 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.796 HD12 HD13 ' B' ' 62' ' ' ILE . 0.4 OUTLIER -69.94 -51.05 36.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 74.03 110.875 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.447 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -78.85 -9.89 59.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 55.55 110.97 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.64 -25.37 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 61.44 110.846 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.668 ' HA ' HG21 ' B' ' 6' ' ' VAL . 31.1 p -147.08 -46.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 45.13 111.111 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.617 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 83.2 104.65 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.667 -0.778 . . . . 52.13 112.484 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -126.6 172.49 10.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.803 0.335 . . . . 70.13 110.918 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -20.61 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 70.23 110.876 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 119.711 -1.868 . . . . 63.11 111.306 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 121.416 0.453 . . . . 73.31 112.513 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -39.37 6.66 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.705 2.27 . . . . 71.45 112.432 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.37 168.4 50.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 73.51 112.53 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.0 m -143.48 142.67 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 62.33 110.862 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.9 ptm -175.86 164.62 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 53.3 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.754 HG21 ' O ' ' A' ' 88' ' ' THR . 35.3 m -72.7 -176.39 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 70.14 111.09 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -162.19 146.21 12.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.852 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 62' ' ' ILE . 21.5 t -80.21 140.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 62.3 111.162 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.582 ' CG2' HD11 ' A' ' 36' ' ' ILE . 3.1 mp -133.6 138.23 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 71.44 111.115 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.593 HD13 ' HE3' ' A' ' 23' ' ' LYS . 16.3 tt -114.39 143.85 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.065 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.506 ' CD1' HD12 ' A' ' 36' ' ' ILE . 6.9 m-85 -93.18 99.86 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -171.56 146.88 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.196 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 158.92 3.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 74.53 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 83.95 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 71.35 112.385 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 31.44 112.474 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 161.87 -46.69 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 126.39 1.876 . . . . 73.42 115.241 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -72.84 -173.35 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 CA-C-N 119.159 0.735 . . . . 74.14 112.393 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -64.81 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 116.397 -1.764 . . . . 71.42 110.312 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 p 32.67 47.84 0.11 Allowed 'General case' 0 C--N 1.343 0.294 0 C-N-CA 126.175 1.79 . . . . 75.01 110.907 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.34 -41.84 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 62.23 111.182 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -56.65 -44.97 81.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 65.14 110.811 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -62.77 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 43.42 111.139 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.593 ' HE3' HD13 ' A' ' 10' ' ' ILE . 20.4 mmtp -53.22 -30.77 39.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.929 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HB3' ' HH ' ' A' ' 74' ' ' TYR . . . -53.1 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.088 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD22 ' CD2' ' A' ' 73' ' ' LEU . 12.8 tp -51.83 -52.96 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 75.52 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD13 ' CG ' ' A' ' 33' ' ' PHE . 7.1 mt -56.05 -25.54 45.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.953 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.03 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.074 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -76.51 -31.12 57.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.839 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -117.45 13.97 14.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.871 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.88 28.01 22.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 71.34 112.487 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -64.29 169.89 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 72.3 111.1 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.76 152.18 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CG ' HD13 ' A' ' 26' ' ' LEU . 28.1 p90 -166.73 153.24 8.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.882 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.05 124.42 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.894 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -77.66 144.23 37.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.24 110.924 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.582 HD11 ' CG2' ' A' ' 9' ' ' ILE . 60.6 mt -117.75 118.48 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.03 111.229 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -69.02 107.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 62.34 110.884 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.4 178.82 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.092 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m 59.38 26.33 15.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 71.44 111.069 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.617 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -127.45 147.61 63.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 64.13 111.14 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.5 Cg_endo -69.76 -15.11 36.93 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 54.1 112.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -74.51 -58.16 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 52.22 110.759 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.617 HD12 ' CG2' ' A' ' 41' ' ' THR . 39.4 mt -56.68 -57.69 11.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.42 110.95 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 23.9 ptt180 -51.9 -32.02 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.857 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.33 73.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 50.15 111.093 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.2 -50.2 74.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 44.51 110.913 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtp -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.903 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.24 -27.51 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 75.45 110.892 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.02 -53.3 54.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.847 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.64 -32.96 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 74.21 110.808 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 56.99 39.74 29.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 63.04 110.898 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.04 -173.66 2.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 64.23 112.499 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -53.67 167.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 65.52 110.846 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -125.1 39.52 3.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.43 0.692 . . . . 65.23 111.347 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -109.03 -26.16 10.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.476 -0.765 . . . . 64.12 111.137 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.1 157.26 69.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 73.31 110.836 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.3 Cg_endo -69.8 -176.8 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.2 112.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -113.34 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.9 150.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 63.11 111.05 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -140.37 139.32 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 73.42 110.922 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 8' ' ' VAL . 1.4 pt -141.12 109.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 64.01 111.138 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.62 -119.49 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 73.41 112.556 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.56 27.57 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 72.41 110.876 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.51 145.51 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 54.53 111.099 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -100.2 145.56 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.861 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.7 t -138.15 128.89 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.2 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.73 -85.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.479 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.03 -161.19 10.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 63.51 112.432 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.1 p -51.89 -32.22 31.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 62.12 110.878 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.45 -51.18 60.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.824 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.76 -43.79 35.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' CD2' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.88 -41.32 64.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.909 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.415 ' HH ' ' HB3' ' A' ' 24' ' ' ALA . 6.3 m-85 -74.89 -41.8 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 65.14 110.938 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.69 -42.13 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 53.42 111.165 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.91 -38.74 91.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.706 ' HA ' HD23 ' A' ' 82' ' ' LEU . 5.6 tm-20 -60.22 -31.3 70.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.924 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.2 -52.93 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.784 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.61 -25.88 68.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 63.23 110.93 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.29 50.29 1.75 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 74.21 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -129.97 24.46 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 74.13 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 77' ' ' GLU . 3.8 pp -90.1 -36.65 14.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 73.22 110.895 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.29 -60.93 2.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 64.05 110.818 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -67.04 -16.26 64.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.874 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.508 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.9 tt -77.36 -47.6 19.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 86' ' ' LEU . 4.5 pp -77.33 -17.5 58.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 70.1 110.933 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -39.04 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 65.23 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.754 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.9 t -141.65 -41.63 0.36 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 64.25 111.126 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.527 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 98.17 101.46 2.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 25.42 112.464 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.09 176.51 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 74.24 110.938 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.0 -30.16 10.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.273 -0.421 . . . . 70.33 110.973 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.246 0.887 0 CA-C-O 116.134 -1.888 . . . . 74.42 112.942 -172.505 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.431 0.462 . . . . 73.31 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -39.31 6.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 71.45 112.395 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.44 168.44 50.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.77 . . . . 73.51 112.524 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -143.49 142.66 31.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 62.33 110.875 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 25.0 ptm -175.88 164.66 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 53.3 110.834 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.747 HG21 ' O ' ' B' ' 88' ' ' THR . 35.4 m -72.76 -176.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.114 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -162.2 146.19 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.863 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.554 HG22 HG22 ' B' ' 62' ' ' ILE . 21.5 t -80.15 140.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.3 111.1 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.581 ' CG2' HD11 ' B' ' 36' ' ' ILE . 3.1 mp -133.67 138.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 71.44 111.121 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.58 HD13 ' HE3' ' B' ' 23' ' ' LYS . 16.3 tt -114.42 143.84 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.34 111.101 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.508 ' CD1' HD12 ' B' ' 36' ' ' ILE . 6.9 m-85 -93.18 99.94 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.944 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 t -171.62 146.92 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 72.41 111.157 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -54.75 159.0 3.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 74.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.65 83.89 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 71.35 112.38 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 111.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 31.44 112.482 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . 0.257 11.7 m 144.64 -26.44 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.016 0 C-N-CA 131.064 3.746 . . . . 73.42 120.255 168.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.23 -174.34 0.98 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 115.49 -2.54 . . . . 74.14 112.361 161.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -69.19 -74.12 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 114.704 -2.569 . . . . 71.42 110.633 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.1 p 33.14 47.96 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 120.383 1.447 . . . . 75.01 110.879 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.44 -41.78 11.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.23 111.17 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -56.71 -44.86 81.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 65.14 110.876 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -62.8 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 43.42 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.58 ' HE3' HD13 ' B' ' 10' ' ' ILE . 20.5 mmtp -53.09 -30.87 38.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 62.31 110.937 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.404 ' HB3' ' OH ' ' B' ' 74' ' ' TYR . . . -53.02 -64.31 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.127 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' B' ' 73' ' ' LEU . 12.8 tp -51.9 -52.93 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.52 110.931 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' B' ' 33' ' ' PHE . 7.1 mt -56.05 -25.54 45.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.95 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.02 -22.04 25.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.136 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -76.55 -31.06 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.856 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 0.9 OUTLIER -117.48 13.97 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.86 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 28.0 23.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 71.34 112.48 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.513 ' HB2' ' HG3' ' B' ' 29' ' ' LYS . . . -64.39 169.84 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 72.3 111.071 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -93.6 152.22 19.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 72.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.517 ' CG ' HD13 ' B' ' 26' ' ' LEU . 28.1 p90 -166.79 153.24 8.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.841 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -136.03 124.46 23.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.893 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -77.78 144.36 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.841 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.581 HD11 ' CG2' ' B' ' 9' ' ' ILE . 60.7 mt -117.86 118.49 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.488 . . . . 71.03 111.106 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.97 107.88 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 62.34 110.882 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.47 178.81 5.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 71.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m 59.34 26.38 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.894 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.95 -35.22 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.102 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.599 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -127.52 147.7 63.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 64.13 111.086 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 53.8 Cg_endo -69.83 -15.12 36.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 54.1 112.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -74.46 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 52.22 110.797 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.599 HD12 ' CG2' ' B' ' 41' ' ' THR . 39.6 mt -56.71 -57.65 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 62.42 110.911 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 24.0 ptt180 -52.0 -31.89 31.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.23 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 50.15 111.118 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.21 -50.21 74.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 44.51 110.852 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.0 mtp -71.28 -29.13 64.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.22 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -68.12 -27.65 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.924 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -54.04 -53.19 56.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.857 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -89.63 -33.02 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.81 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t 57.01 39.79 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 63.04 110.872 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -173.7 2.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 64.23 112.438 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -53.67 167.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 65.52 110.88 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -126.81 45.22 2.73 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.278 0.631 . . . . 65.23 111.108 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -114.08 -26.01 8.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.783 0.325 . . . . 64.12 111.13 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -140.15 157.35 69.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 73.31 110.826 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.406 ' CG ' HD11 ' B' ' 10' ' ' ILE . 52.8 Cg_endo -69.93 -176.77 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.269 . . . . 73.2 112.313 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -113.44 140.69 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 71.43 110.925 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 30.0 mm -102.83 150.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.145 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.43 139.29 35.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.554 HG22 HG22 ' B' ' 8' ' ' VAL . 1.4 pt -141.08 109.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 64.01 111.136 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.61 -119.48 12.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.72 . . . . 73.41 112.417 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -105.58 27.61 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 72.41 110.856 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.55 145.48 25.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 54.53 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -100.13 145.51 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.903 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 37.6 t -138.18 128.87 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 64.1 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.71 -85.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.33 112.516 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.97 -161.14 9.96 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 63.51 112.48 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -51.93 -32.2 31.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.914 0.388 . . . . 62.12 110.883 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -52.41 -51.27 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.44 110.805 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.67 -43.79 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.921 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.419 ' CD2' HD22 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -52.92 -41.33 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 63.15 110.874 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.404 ' OH ' ' HB3' ' B' ' 24' ' ' ALA . 6.3 m-85 -74.94 -41.74 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.67 -42.12 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 53.42 111.165 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.86 -38.79 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.683 ' HA ' HD23 ' B' ' 82' ' ' LEU . 5.5 tm-20 -60.23 -31.33 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.856 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.11 -52.86 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 64.13 110.88 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.62 -25.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.23 110.88 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.35 50.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 74.21 112.489 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -129.94 24.42 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 74.13 110.862 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' B' ' 77' ' ' GLU . 3.8 pp -90.01 -36.68 14.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.857 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.34 -60.84 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 64.05 110.813 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.1 m -67.12 -16.28 64.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 71.51 110.859 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.506 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.9 tt -77.41 -47.53 19.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.95 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.413 ' C ' HD12 ' B' ' 86' ' ' LEU . 4.5 pp -77.44 -17.46 58.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -38.97 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 65.23 110.883 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.747 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.9 t -141.65 -41.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 64.25 111.132 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.53 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 98.18 101.49 2.19 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 25.42 112.476 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -130.1 176.47 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 74.24 110.92 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.04 -28.26 11.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 115.707 -2.092 . . . . 74.42 111.418 -171.661 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.436 0.464 . . . . 53.04 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.69 -48.21 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.279 . . . . 63.13 112.345 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.79 -141.86 3.82 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 51.32 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.88 178.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 74.5 110.816 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 46.6 mtp -140.16 -170.5 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 62.15 110.905 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.565 HG21 ' CA ' ' A' ' 88' ' ' THR . 28.2 m -68.31 -176.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 73.2 111.147 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -172.78 146.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 64.24 110.873 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.857 HG22 HG22 ' A' ' 62' ' ' ILE . 22.8 t -85.06 145.52 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 73.23 111.062 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.65 145.18 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 53.42 111.081 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.693 HD11 ' CG ' ' A' ' 58' ' ' PRO . 14.4 tt -127.29 126.62 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 64.25 111.104 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -89.74 101.91 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.81 170.38 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 71.03 111.159 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 135.48 87.55 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.626 0.726 . . . . 74.3 110.849 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 77.46 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.738 2.292 . . . . 62.45 112.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.55 98.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 54.31 112.443 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 162.28 -49.47 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.299 0 C-N-CA 126.782 2.033 . . . . 64.0 115.579 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.23 -171.34 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 117.901 -0.933 . . . . 52.02 112.31 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -93.64 42.11 1.09 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 119.634 -1.916 . . . . 73.21 110.389 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.64 43.52 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.368 -0.832 . . . . 54.21 110.937 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.41 17.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.061 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -65.81 -46.14 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 70.4 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.65 73.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 43.43 111.109 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HA ' HD12 ' A' ' 26' ' ' LEU . 19.0 mmtp -64.5 -43.61 93.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.821 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 24.24 111.123 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.728 HD22 HD21 ' A' ' 73' ' ' LEU . 2.2 tt -57.56 -47.24 82.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 74.05 110.897 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.676 HD13 ' CD1' ' A' ' 33' ' ' PHE . 7.0 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.813 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.95 -24.81 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -72.42 -54.99 7.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.888 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HG3' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -87.9 7.88 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.9 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.29 35.95 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 41.22 112.442 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.588 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -76.37 169.89 17.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 43.33 111.119 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.8 160.07 14.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 61.14 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.676 ' CD1' HD13 ' A' ' 26' ' ' LEU . 14.3 p90 -165.98 148.28 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 54.15 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.27 126.63 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.922 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.658 ' O ' HD13 ' A' ' 36' ' ' ILE . 18.1 mt-10 -81.24 158.04 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.4 110.827 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 35' ' ' GLU . 25.5 mm -127.93 123.64 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 54.0 111.076 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -73.63 104.37 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.848 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.95 -179.89 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 71.51 111.063 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.55 21.21 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 72.11 110.819 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.48 -33.28 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 55.24 111.136 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -126.58 148.42 64.47 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.602 0.715 . . . . 72.35 111.097 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -11.69 31.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 74.14 112.326 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.97 -49.25 12.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.909 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.577 HD21 HG22 ' A' ' 36' ' ' ILE . 8.6 mp -63.49 -56.49 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.866 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.9 -27.6 31.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 63.23 110.961 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.76 -44.38 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 65.43 111.061 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.42 -53.89 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.855 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -56.93 -24.24 51.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.864 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.43 -21.65 60.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.911 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.78 -43.02 80.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 64.42 110.812 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.04 10.53 24.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 71.05 110.822 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.59 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 70.31 110.862 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.57 -101.96 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.806 -0.712 . . . . 42.21 112.469 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -97.81 121.51 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 73.41 110.824 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 73.79 7.94 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 120.541 -1.349 . . . . 73.43 109.0 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -113.72 -24.64 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.66 -1.154 . . . . 71.11 111.099 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.75 158.38 34.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.659 0.742 . . . . 74.24 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.693 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.1 Cg_endo -69.69 -178.36 2.28 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.735 2.29 . . . . 70.42 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.13 125.24 52.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.93 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.86 150.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 63.21 111.069 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.19 126.04 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.01 110.879 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.857 HG22 HG22 ' A' ' 8' ' ' VAL . 1.2 pt -134.81 123.1 40.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.23 111.107 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.37 -117.47 6.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 64.12 112.484 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.62 25.84 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.922 0.392 . . . . 74.35 110.83 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.95 142.73 19.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 72.54 111.087 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.96 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.866 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -133.89 88.46 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.5 111.216 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.72 74.87 1.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.777 . . . . 50.01 112.479 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.6 110.99 0.41 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.757 -0.735 . . . . 60.03 112.525 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -51.85 -32.52 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.5 110.84 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.92 -35.83 77.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 73.03 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -67.01 -32.6 73.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.01 110.917 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -67.86 -30.4 69.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 54.05 110.921 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.11 -28.56 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 73.01 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.57 -50.66 70.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 72.01 111.058 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.09 -42.67 98.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.852 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.717 ' HG2' HD11 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.81 -31.45 72.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 65.42 110.861 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.05 -35.95 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.54 110.875 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.18 -30.22 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.792 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.5 42.22 1.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.833 -0.699 . . . . 73.25 112.422 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -129.42 29.36 5.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.874 0.368 . . . . 73.34 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' A' ' 77' ' ' GLU . 3.1 pp -83.03 -36.99 24.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.97 -65.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.84 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -58.24 -22.21 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 65.32 110.895 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.489 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.3 tt -73.34 -45.94 52.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.479 . . . . 71.5 110.936 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.541 HD23 ' HE2' ' A' ' 29' ' ' LYS . 4.6 pp -85.79 -9.87 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 62.11 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HE2' HG22 ' A' ' 88' ' ' THR . 0.0 OUTLIER -96.56 -31.64 12.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.27 -0.423 . . . . 74.21 110.925 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.565 ' CA ' HG21 ' A' ' 6' ' ' VAL . 25.3 p -137.56 -47.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.148 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.554 ' C ' HD12 ' A' ' 62' ' ' ILE . . . 101.33 73.54 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.677 -0.773 . . . . 52.42 112.488 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -125.06 150.24 47.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.873 0.368 . . . . 74.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -91.54 -23.71 19.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 54.35 110.956 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--O 1.245 0.827 0 O-C-N 121.528 -0.733 . . . . 52.31 110.953 -163.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 121.467 0.482 . . . . 53.04 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.14 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.601 2.201 . . . . 63.13 112.405 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.72 -141.87 3.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 51.32 112.483 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.9 178.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 74.5 110.798 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 46.7 mtp -140.16 -170.56 2.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.15 110.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.561 HG21 ' HA ' ' B' ' 88' ' ' THR . 28.1 m -68.34 -176.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.2 111.192 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -172.76 146.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.818 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.883 HG22 HG22 ' B' ' 62' ' ' ILE . 22.8 t -84.98 145.57 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.23 111.082 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.69 145.04 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 53.42 111.144 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.681 HD11 ' CG ' ' B' ' 58' ' ' PRO . 14.4 tt -127.22 126.64 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.25 111.092 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.8 102.01 14.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.917 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -175.88 170.33 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 71.03 111.146 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.405 ' HB3' ' HD3' ' B' ' 17' ' ' PRO . 0.0 OUTLIER -69.91 135.41 87.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 74.3 110.843 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 77.54 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.774 2.316 . . . . 62.45 112.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 99.4 1.15 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.83 -0.7 . . . . 54.31 112.548 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 157.17 -42.04 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 C-N-CA 129.046 2.938 . . . . 64.0 117.643 171.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HB3' ' B' ' 13' ' ' ARG . 52.2 Cg_endo -69.13 -170.27 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 115.904 -2.264 . . . . 52.02 112.277 170.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.66 41.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 119.981 -1.699 . . . . 73.21 109.626 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.08 43.58 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.047 -1.033 . . . . 54.21 110.88 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.13 -31.39 17.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.07 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.85 -46.12 79.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 70.4 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -49.75 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 43.43 111.118 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' B' ' 26' ' ' LEU . 19.0 mmtp -64.44 -43.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.876 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.18 61.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 24.24 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.725 HD22 HD21 ' B' ' 73' ' ' LEU . 2.2 tt -57.57 -47.2 82.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.883 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' B' ' 33' ' ' PHE . 6.9 mt -55.57 -29.87 59.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.875 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.07 -24.66 61.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.054 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -72.49 -54.99 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.891 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.585 ' HG3' ' HB2' ' B' ' 31' ' ' ALA . 0.1 OUTLIER -87.82 7.88 28.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.906 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.66 34.4 35.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.77 -0.729 . . . . 41.22 112.461 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.61 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -76.43 169.86 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 43.33 111.099 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -97.74 160.07 14.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 61.14 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.682 ' CD1' HD13 ' B' ' 26' ' ' LEU . 14.2 p90 -166.02 148.29 7.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 54.15 110.909 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -134.28 126.52 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.946 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.661 ' O ' HD13 ' B' ' 36' ' ' ILE . 18.0 mt-10 -81.17 157.97 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.88 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.661 HD13 ' O ' ' B' ' 35' ' ' GLU . 25.4 mm -127.9 123.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 54.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.61 104.38 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.878 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.89 -179.9 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.154 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t 63.57 21.22 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.812 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.52 -33.14 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 55.24 111.172 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.511 ' CG2' HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -126.64 148.39 64.53 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.592 0.711 . . . . 72.35 111.145 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -11.64 31.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 74.14 112.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.02 -49.19 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 63.41 110.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.579 HD21 HG22 ' B' ' 36' ' ' ILE . 8.6 mp -63.52 -56.41 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.906 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -53.87 -27.76 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.879 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.65 -44.45 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 65.43 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -70.34 -53.99 14.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.83 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 10.9 ptm -57.0 -24.17 51.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.863 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.4 -21.71 60.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.945 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -67.71 -42.97 81.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.857 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -110.16 10.6 23.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.05 110.871 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.1 p -51.55 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.857 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.63 -102.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 42.21 112.451 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mmt-85 -97.84 125.51 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 73.41 110.893 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.13 61.12 6.31 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.595 -0.729 . . . . 73.43 112.242 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.1 p -112.44 -24.68 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.917 -0.489 . . . . 71.11 111.11 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.76 158.37 34.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 74.24 110.833 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.681 ' CG ' HD11 ' B' ' 10' ' ' ILE . 54.0 Cg_endo -69.75 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 70.42 112.284 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -110.08 125.26 52.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.912 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.88 150.89 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 63.21 111.084 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -146.14 126.02 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 50.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.883 HG22 HG22 ' B' ' 8' ' ' VAL . 1.2 pt -134.7 123.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 73.23 111.147 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.38 -117.5 6.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 64.12 112.488 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -110.64 25.9 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 74.35 110.86 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 86.8 t -108.01 142.73 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 72.54 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -110.98 103.64 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 75.52 110.846 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -133.88 88.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.5 111.184 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.79 74.83 1.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 50.01 112.468 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.64 110.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 60.03 112.469 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.3 t -51.8 -32.52 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 73.5 110.905 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.96 -35.84 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 73.03 110.806 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -67.01 -32.63 73.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 71.01 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.725 HD21 HD22 ' B' ' 25' ' ' LEU . 0.4 OUTLIER -67.88 -30.37 69.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 54.05 110.886 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -80.11 -28.57 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.01 110.853 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.61 70.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.01 111.136 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.14 -42.62 98.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.85 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.718 ' HG2' HD11 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -62.85 -31.43 72.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.881 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -36.01 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.54 110.855 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -76.23 -30.01 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.34 42.13 1.54 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 73.25 112.543 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -129.38 29.41 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 73.34 110.94 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.12 -36.88 24.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.883 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -58.03 -65.89 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 70.24 110.856 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 47.8 m -58.33 -22.15 52.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 65.32 110.87 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.495 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.2 tt -73.4 -45.99 51.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 71.5 110.88 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.548 HD23 ' HE2' ' B' ' 29' ' ' LYS . 4.6 pp -85.73 -9.89 56.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 62.11 110.864 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' B' ' 88' ' ' THR . 0.0 OUTLIER -96.56 -31.59 12.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 74.21 110.916 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.561 ' HA ' HG21 ' B' ' 6' ' ' VAL . 25.1 p -137.53 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.174 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.563 ' C ' HD12 ' B' ' 62' ' ' ILE . . . 101.4 73.58 1.03 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 52.42 112.427 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -125.06 150.19 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 74.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.547 ' H ' HD23 ' B' ' 91' ' ' LEU . 1.0 OUTLIER -91.48 -22.87 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 54.35 110.963 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.245 0.829 0 N-CA-C 109.438 -0.579 . . . . 52.31 109.438 -169.198 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 121.464 0.48 . . . . 71.32 112.411 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.33 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.708 2.272 . . . . 72.35 112.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.5 -178.02 18.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 52.1 112.423 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -110.02 -18.22 13.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 63.34 110.876 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 mtp -64.87 168.32 6.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 63.4 110.88 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.57 164.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 40.22 111.094 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.84 147.44 40.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.1 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 62' ' ' ILE . 19.4 t -94.89 133.52 35.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 65.53 111.182 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.83 149.26 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 54.23 111.129 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.656 HG13 HD13 ' A' ' 60' ' ' ILE . 12.6 tt -132.77 140.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.1 111.153 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 36' ' ' ILE . 7.1 m-85 -89.82 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.974 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.08 148.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.23 111.112 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -59.44 160.67 12.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 72.02 110.861 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 78.85 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 74.14 112.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.27 111.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.799 -0.715 . . . . 71.12 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m 162.32 -49.51 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.405 0 C-N-CA 127.218 2.207 . . . . 71.54 114.24 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.21 -170.72 0.44 Allowed 'Trans proline' 0 C--N 1.354 0.851 0 CA-C-N 119.606 0.895 . . . . 74.34 112.273 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.98 47.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.965 0.888 . . . . 64.14 109.311 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -98.66 34.67 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.394 -0.816 . . . . 61.11 110.877 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.15 -35.25 21.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.51 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.78 -48.89 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 65.51 110.933 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.8 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 71.14 111.164 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.55 -29.4 67.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.977 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.12 73.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 54.1 111.11 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.9 HD22 HD21 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -71.41 -49.53 40.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.3 mt -53.86 -39.55 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 73.55 110.936 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.38 53.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 63.23 111.149 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -36.41 77.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.809 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.667 ' HD2' HD13 ' A' ' 82' ' ' LEU . 22.6 mtmm -94.75 10.34 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.889 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.36 20.17 43.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 74.24 112.553 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.9 169.49 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 53.2 111.133 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -104.0 159.85 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 54.53 110.86 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -160.58 164.5 31.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 74.02 110.894 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -137.91 130.8 29.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 53.22 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -94.59 136.58 34.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 65.32 110.887 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 ' CD1' ' A' ' 11' ' ' TYR . 59.8 mt -104.15 132.72 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 74.13 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.05 91.51 1.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.878 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.78 179.86 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 16.79 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 71.03 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 -5.51 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.095 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.414 HG23 HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -172.3 152.79 2.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.572 0.701 . . . . 62.43 111.046 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -7.97 22.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.687 2.258 . . . . 74.51 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -50.81 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 51.03 110.901 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 44' ' ' LEU . 1.8 mm? -83.95 -40.5 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 53.42 110.917 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.35 -28.58 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.908 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.89 -9.63 48.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 51.44 111.046 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.63 -35.39 45.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 74.43 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.1 mtp -90.79 -24.49 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 72.24 110.813 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -19.86 65.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 74.51 110.915 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.33 -49.1 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.08 -60.45 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -67.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.789 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.12 3.7 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 40.01 112.486 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -73.63 -23.34 59.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 73.21 110.92 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 60.48 27.63 17.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 125.123 1.514 . . . . 51.13 110.677 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.695 HG23 ' CD2' ' A' ' 57' ' ' PHE . 2.8 t -58.55 -30.31 67.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.659 -1.155 . . . . 65.2 111.117 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.695 ' CD2' HG23 ' A' ' 56' ' ' THR . 1.5 p90 -141.34 157.58 65.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 73.43 110.875 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 161.82 44.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 71.12 112.42 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 118.0 31.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.978 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.656 HD13 HG13 ' A' ' 10' ' ' ILE . 25.0 mm -90.02 128.2 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 74.11 111.109 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.65 143.8 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 73.55 110.895 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 8' ' ' VAL . 10.5 mt -145.33 111.91 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.22 111.151 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.53 -102.97 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 71.2 112.471 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.7 p -117.85 35.02 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 73.54 110.824 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.47 145.08 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 73.21 111.165 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -120.94 101.68 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.823 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.5 p -140.43 89.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 64.24 111.088 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.52 79.27 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.816 -0.707 . . . . 64.22 112.518 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.38 110.55 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.41 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.2 m -54.44 -30.41 52.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 75.52 110.832 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -76.11 -28.43 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 70.24 110.867 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -69.57 -37.89 77.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.895 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.9 HD21 HD22 ' A' ' 25' ' ' LEU . 2.7 tt -66.44 -34.63 78.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.938 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.86 -30.07 61.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.858 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.38 79.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 61.43 111.153 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -54.83 -46.53 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.939 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.589 ' CD ' HD11 ' A' ' 25' ' ' LEU . 11.3 tt0 -53.39 -35.32 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.867 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -45.5 60.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 60.21 110.831 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.1 -29.8 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.916 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.72 36.51 4.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 72.23 112.543 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -122.97 29.97 6.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 72.23 110.901 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.667 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.9 pp -86.2 -37.19 18.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 51.21 110.81 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 82' ' ' LEU . 32.3 t0 -59.18 -63.25 1.37 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 53.41 110.841 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -20.33 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.88 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 86' ' ' LEU . 1.3 tt -75.51 -52.11 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 72.44 110.891 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.6 pp -74.45 -16.6 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.987 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 -40.16 12.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 62.1 110.977 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.4 p -130.78 -46.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 65.41 111.154 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.68 103.95 2.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 64.42 112.452 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 71.24 110.905 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -25.38 18.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.931 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 C--O 1.251 1.138 0 O-C-N 122.235 -0.291 . . . . 65.2 111.557 -169.048 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 121.411 0.45 . . . . 71.32 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -48.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.736 2.291 . . . . 72.35 112.396 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.42 -177.99 18.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.761 -0.733 . . . . 52.1 112.404 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -110.1 -18.19 13.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.793 0.33 . . . . 63.34 110.77 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 26.7 mtp -65.02 168.31 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 63.4 110.881 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.44 164.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 40.22 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.83 147.49 40.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.1 110.82 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.581 HG22 HG23 ' B' ' 62' ' ' ILE . 19.4 t -94.93 133.52 35.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 65.53 111.119 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.86 149.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 54.23 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.65 HG13 HD13 ' B' ' 60' ' ' ILE . 12.5 tt -132.71 140.93 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.1 111.116 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.528 ' CD1' HD12 ' B' ' 36' ' ' ILE . 7.1 m-85 -89.91 104.27 16.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.959 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t 179.12 148.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 75.23 111.112 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -59.48 160.65 12.84 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 72.02 110.839 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.76 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.696 2.264 . . . . 74.14 112.368 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.32 112.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 71.12 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 42.1 t 156.64 -44.71 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 C-N-CA 128.863 2.865 . . . . 71.54 116.148 171.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -65.67 -170.4 0.17 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 115.818 -2.321 . . . . 74.34 112.367 171.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -94.03 44.93 1.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 120.756 -1.215 . . . . 64.14 109.937 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -94.47 34.73 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.68 -0.637 . . . . 61.11 110.938 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.2 -35.15 21.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.112 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -51.96 -48.82 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 65.51 110.817 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.76 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 71.14 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -59.49 -29.45 67.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.939 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.09 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 54.1 111.099 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.876 HD22 HD21 ' B' ' 73' ' ' LEU . 0.5 OUTLIER -71.4 -49.53 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.991 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.86 -39.52 65.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.97 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.32 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 63.23 111.123 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.47 77.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.839 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.639 ' HD2' HD13 ' B' ' 82' ' ' LEU . 22.7 mtmm -94.77 10.36 35.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.896 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.5 20.03 43.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.86 169.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 53.2 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -103.95 159.8 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 54.53 110.941 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -160.56 164.52 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.02 110.925 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -137.87 130.81 30.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 53.22 110.839 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -94.59 136.59 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.857 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' B' ' 11' ' ' TYR . 59.6 mt -104.22 132.73 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 74.13 111.106 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.96 91.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.74 179.76 6.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 74.12 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t 63.16 16.67 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.54 -5.48 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 71.24 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.401 HG23 HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -172.3 152.81 2.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.513 0.673 . . . . 62.43 111.177 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -7.96 22.38 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 74.51 112.331 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -66.65 -50.71 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 51.03 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.435 ' H ' HD22 ' B' ' 44' ' ' LEU . 1.8 mm? -83.94 -40.57 18.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -57.28 -28.61 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.82 -9.68 48.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 51.44 111.079 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.7 -35.34 45.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.2 mtp -90.86 -24.46 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.98 -19.79 64.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.29 -49.17 75.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.974 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -110.09 -60.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 62.31 110.911 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -52.46 -67.62 0.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.785 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.4 -59.2 3.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 40.01 112.481 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -73.56 -20.74 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 73.21 110.971 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 9.9 m120 58.71 29.11 18.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.28 1.032 . . . . 51.13 110.493 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.691 HG23 ' CD2' ' B' ' 57' ' ' PHE . 2.8 t -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.774 -0.648 . . . . 65.2 111.076 177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.691 ' CD2' HG23 ' B' ' 56' ' ' THR . 1.5 p90 -141.24 157.6 66.05 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.623 0.725 . . . . 73.43 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.269 . . . . 71.12 112.382 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.6 117.97 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.961 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.65 HD13 HG13 ' B' ' 10' ' ' ILE . 24.8 mm -89.92 128.13 42.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.175 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.59 143.78 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.55 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.581 HG23 HG22 ' B' ' 8' ' ' VAL . 10.3 mt -145.32 111.85 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 63.22 111.197 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.58 -103.0 0.1 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 71.2 112.465 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p -117.86 35.02 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 73.54 110.861 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.3 t -115.49 145.03 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 73.21 111.138 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -120.92 101.61 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 64.01 110.815 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' HG13 ' B' ' 67' ' ' VAL . 2.5 p -140.37 89.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 64.24 111.136 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.64 79.5 1.41 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.705 -0.759 . . . . 64.22 112.483 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -171.45 110.42 0.36 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 74.43 112.477 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 64.1 m -54.42 -30.31 52.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 75.52 110.927 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -76.2 -28.41 57.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 70.24 110.856 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -69.63 -37.88 76.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.826 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.876 HD21 HD22 ' B' ' 25' ' ' LEU . 2.7 tt -66.41 -34.7 78.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 73.2 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.81 -30.07 61.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.59 -45.45 79.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.074 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.86 -46.5 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.591 ' CD ' HD11 ' B' ' 25' ' ' LEU . 11.4 tt0 -53.41 -35.3 60.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.5 110.93 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.9 -45.56 60.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 60.21 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -65.16 -29.63 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.931 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.61 36.57 4.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.493 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -123.07 30.01 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 72.23 110.863 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.639 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.9 pp -86.21 -37.2 18.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.21 110.887 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.451 ' N ' HD12 ' B' ' 82' ' ' LEU . 32.0 t0 -59.14 -63.29 1.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 53.41 110.832 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -20.34 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.41 110.948 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.498 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.3 tt -75.59 -51.97 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 72.44 110.884 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.498 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.6 pp -74.53 -16.6 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.91 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -40.08 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.952 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -130.84 -47.02 1.03 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 65.41 111.077 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.75 103.92 2.54 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.705 -0.76 . . . . 64.42 112.403 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -147.92 147.25 29.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.822 0.344 . . . . 71.24 110.829 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.57 -23.62 18.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.96 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--O 1.248 0.975 0 N-CA-C 107.782 -1.192 . . . . 65.2 107.782 -176.629 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 121.415 0.453 . . . . 73.42 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 147.45 63.09 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.665 2.243 . . . . 70.21 112.348 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.4 92.35 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.663 -0.78 . . . . 62.33 112.456 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -18.97 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 72.2 110.857 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.4 167.74 15.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.939 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -93.82 165.95 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 65.11 111.106 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.86 131.33 54.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 71.34 110.865 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 62' ' ' ILE . 21.2 t -98.11 146.44 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 73.12 111.125 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 36' ' ' ILE . 3.1 mp -139.99 154.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 62.13 111.131 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.799 HG21 ' HE3' ' A' ' 23' ' ' LYS . 18.6 tt -142.35 140.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 73.01 111.096 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -89.75 109.67 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.557 HG23 ' HB3' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -154.5 151.18 28.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 71.03 111.176 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 32.5 mtt85 -84.3 154.52 63.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.569 0.699 . . . . 62.53 110.909 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 78.28 1.0 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.707 2.271 . . . . 43.33 112.409 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 16' ' ' CYS . . . 77.34 96.61 0.2 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 50.25 112.507 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.79 ' HB3' ' HD3' ' A' ' 17' ' ' PRO 0.359 37.6 t 177.32 -68.88 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.202 1 O-C-N 115.755 -4.379 . . . . 70.0 100.486 -157.557 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 16' ' ' CYS . 54.0 Cg_endo -86.62 -174.8 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.102 1 C-N-CA 133.963 9.775 . . . . 51.03 112.376 -172.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -112.01 57.37 0.64 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 122.395 1.093 . . . . 64.04 112.215 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 12' ' ' THR . 26.8 p -92.13 45.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 119.565 -1.96 . . . . 72.12 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.14 -44.46 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 73.01 111.121 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 31.4 mmt180 -62.11 -41.61 98.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 54.42 110.84 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.69 2.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 71.44 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.799 ' HE3' HG21 ' A' ' 10' ' ' ILE . 36.6 mmtm -64.28 -22.59 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 53.11 110.94 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -51.8 -41.06 61.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.132 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.795 HD22 HD21 ' A' ' 73' ' ' LEU . 3.6 tt -88.42 -46.5 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.75 -42.67 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.956 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.54 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 64.1 111.12 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -24.09 66.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.456 . . . . 70.45 110.811 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HD3' HD13 ' A' ' 82' ' ' LEU . 2.0 mmpt? -93.35 -10.34 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.888 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.31 6.95 88.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.789 -0.719 . . . . 71.34 112.455 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 154.03 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 73.43 111.075 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.99 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.862 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 71.34 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -149.84 124.38 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -77.42 159.99 29.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.817 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 9' ' ' ILE . 81.7 mt -137.21 104.92 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 65.33 111.095 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.49 103.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 53.24 110.849 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.2 178.36 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 61.11 111.103 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.04 26.63 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 64.24 110.917 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.65 -34.04 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 74.33 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.568 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -136.39 147.54 60.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.499 0.666 . . . . 73.23 111.243 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -16.95 37.58 Favored 'Trans proline' 0 C--N 1.34 0.108 0 C-N-CA 122.734 2.289 . . . . 63.24 112.248 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -37.37 70.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 64.44 110.872 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' CG2' ' A' ' 41' ' ' THR . 24.6 mt -89.75 -50.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.04 110.849 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -52.35 -29.84 25.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.02 88.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.143 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 tp10 -73.37 -42.8 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.885 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.0 ttp -71.4 -26.03 62.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.03 110.799 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.16 -26.62 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 72.31 110.927 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -69.99 -40.21 75.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 65.03 110.952 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.07 -26.26 27.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.41 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.2 m -52.21 140.85 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.858 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.1 -20.99 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.51 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.46 -39.82 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 75.32 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 57.98 41.99 23.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.237 -1.347 . . . . 73.1 110.722 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -105.0 -60.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.946 -1.025 . . . . 75.33 111.202 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.79 157.39 52.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.772 0.796 . . . . 73.21 110.804 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.667 ' CG ' HD11 ' A' ' 10' ' ' ILE . 54.0 Cg_endo -69.61 172.31 12.73 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.666 2.244 . . . . 71.35 112.409 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -97.75 116.47 30.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CD1' HD12 ' A' ' 10' ' ' ILE . 40.9 mm -90.14 143.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.146 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.64 139.73 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.815 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.788 HD12 ' HA2' ' A' ' 89' ' ' GLY . 7.1 pt -146.51 117.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.53 111.069 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.69 -118.56 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.766 -0.73 . . . . 64.24 112.471 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -110.26 25.03 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 74.1 110.85 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 62.8 t -117.92 144.64 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.159 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.19 146.21 26.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.52 127.97 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 55.43 111.142 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.48 -52.72 31.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.814 -0.708 . . . . 71.41 112.459 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.64 -153.87 24.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 34.41 112.527 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -51.98 -36.21 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 62.15 110.895 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -49.16 68.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.897 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.55 -43.52 26.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.87 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.795 HD21 HD22 ' A' ' 25' ' ' LEU . 2.7 tt -55.31 -34.18 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 62.13 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -76.87 -41.81 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 61.45 110.89 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.81 -41.39 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 52.31 111.077 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.504 HD12 HD13 ' A' ' 85' ' ' LEU . 68.3 mt -64.49 -39.58 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.526 ' OE1' HD22 ' A' ' 82' ' ' LEU . 12.0 tp10 -57.74 -29.47 64.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 64.05 110.896 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.05 -54.14 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 73.33 110.915 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.98 -26.12 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.838 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.38 34.56 6.32 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.771 -0.728 . . . . 50.42 112.539 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.51 26.42 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 62.22 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.529 HD13 ' HD3' ' A' ' 29' ' ' LYS . 4.3 pp -78.9 -36.31 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 54.1 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.502 ' N ' HD12 ' A' ' 82' ' ' LEU . 35.5 t70 -55.98 -55.55 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 75.53 110.852 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -61.77 -33.27 73.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -62.58 -55.89 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 54.43 110.943 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.58 -21.41 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 63.12 110.944 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -40.0 46.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.913 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -147.04 -42.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.32 111.107 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.788 ' HA2' HD12 ' A' ' 62' ' ' ILE . . . 119.65 112.06 2.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 63.54 112.394 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.36 130.34 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 73.31 110.915 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -80.12 -31.84 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 71.1 110.95 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.48 1.032 0 O-C-N 117.483 -3.261 . . . . 74.33 108.992 -168.134 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 121.425 0.458 . . . . 73.42 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 147.48 63.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.627 2.218 . . . . 70.21 112.315 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.38 92.27 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.728 . . . . 62.33 112.474 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.44 -19.01 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 72.2 110.82 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 167.72 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.885 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 m -93.76 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 65.11 111.056 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -107.89 131.34 54.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 71.34 110.82 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.403 HG22 HG22 ' B' ' 62' ' ' ILE . 21.1 t -98.06 146.48 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.124 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.663 HG21 HD11 ' B' ' 36' ' ' ILE . 3.1 mp -140.04 154.1 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 62.13 111.121 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.788 HG21 ' HE3' ' B' ' 23' ' ' LYS . 18.6 tt -142.22 140.78 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.149 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 74.03 110.94 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.575 HG23 ' HB3' ' B' ' 58' ' ' PRO . 0.1 OUTLIER -154.53 151.13 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.208 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.403 ' HB3' ' HD2' ' B' ' 14' ' ' PRO . 32.6 mtt85 -84.34 154.57 63.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 62.53 110.874 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 13' ' ' ARG . 53.9 Cg_endo -69.71 78.28 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.733 2.289 . . . . 43.33 112.355 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.35 102.85 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 50.25 112.484 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 16' ' ' CYS 0.315 37.2 t 162.24 -52.62 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.779 0 C-N-CA 129.261 3.024 . . . . 70.0 116.412 174.022 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -63.44 -172.0 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.427 -2.582 . . . . 51.03 112.327 176.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -117.04 58.27 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 124.178 0.991 . . . . 64.04 110.437 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.51 ' SG ' HG21 ' B' ' 12' ' ' THR . 26.8 p -93.03 45.56 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.082 -1.011 . . . . 72.12 110.949 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 -44.46 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 73.01 111.102 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 31.3 mmt180 -62.14 -41.63 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 54.42 110.857 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.29 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.788 ' HE3' HG21 ' B' ' 10' ' ' ILE . 36.7 mmtm -64.29 -22.7 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 53.11 110.859 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' B' ' 21' ' ' ARG . . . -51.7 -41.15 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.063 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.791 HD22 HD21 ' B' ' 73' ' ' LEU . 3.6 tt -88.42 -46.42 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 73.42 110.997 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.71 -42.73 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.51 111.011 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.5 71.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 64.1 111.185 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -24.01 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.828 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.525 ' HD3' HD13 ' B' ' 82' ' ' LEU . 2.0 mmpt? -93.44 -10.39 35.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.956 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.43 6.89 88.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 71.34 112.476 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.39 154.07 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.739 0.304 . . . . 73.43 111.119 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -100.14 118.88 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 72.52 110.938 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -119.51 170.09 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.898 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -149.88 124.33 9.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.52 110.925 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -77.3 159.99 29.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.873 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.663 HD11 HG21 ' B' ' 9' ' ' ILE . 81.9 mt -137.25 104.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 65.33 111.107 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -52.43 103.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 53.24 110.929 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.11 178.27 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 61.11 111.085 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t 60.11 26.54 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.56 -34.07 3.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.33 111.072 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.572 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -136.37 147.61 60.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 73.23 111.165 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -17.05 37.55 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.747 2.298 . . . . 63.24 112.215 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.75 -37.38 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 64.44 110.917 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.572 HD12 ' CG2' ' B' ' 41' ' ' THR . 24.4 mt -89.68 -50.6 5.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.04 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -52.39 -29.88 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.931 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.99 88.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 72.11 111.052 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -73.34 -42.79 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 12.1 ttp -71.41 -26.03 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.03 110.809 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.06 -26.63 68.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 72.31 110.911 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -69.98 -40.32 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 65.03 110.895 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.08 -26.32 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 75.41 110.836 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.6 m -52.01 140.84 19.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.903 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.07 -21.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 72.33 112.508 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.47 -39.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 75.32 110.865 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 54.75 44.73 28.04 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.914 1.285 . . . . 73.1 110.746 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -105.25 -60.2 1.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.389 -1.278 . . . . 75.33 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -119.73 157.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.21 110.866 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.668 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.2 Cg_endo -69.72 172.32 12.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.645 2.23 . . . . 71.35 112.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -97.73 116.34 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.921 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.49 ' CD1' HD12 ' B' ' 10' ' ' ILE . 40.9 mm -90.01 143.83 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.138 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -136.69 139.67 42.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.34 110.864 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.809 HD12 ' HA2' ' B' ' 89' ' ' GLY . 7.1 pt -146.55 117.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.53 111.115 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.89 -118.66 7.5 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.694 -0.765 . . . . 64.24 112.457 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -110.24 25.06 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.1 110.907 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 63.2 t -117.89 144.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 74.32 111.115 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -99.14 146.21 26.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.854 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.52 127.92 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 55.43 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.49 -52.61 32.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 71.41 112.486 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.59 -153.92 24.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.753 . . . . 34.41 112.476 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -51.94 -36.26 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 62.15 110.867 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -49.25 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 75.02 110.819 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.49 -43.54 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.44 110.937 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.791 HD21 HD22 ' B' ' 25' ' ' LEU . 2.7 tt -55.24 -34.3 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 62.13 110.95 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.85 -41.83 42.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 61.45 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.71 -41.47 67.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 52.31 111.124 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.5 HD12 HD13 ' B' ' 85' ' ' LEU . 67.9 mt -64.38 -39.73 94.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 74.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' B' ' 25' ' ' LEU . 12.0 tp10 -57.63 -29.52 64.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 64.05 110.88 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.04 -54.16 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 73.33 110.858 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -60.96 -26.09 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.861 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.32 34.63 6.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 50.42 112.502 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -113.62 26.42 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 62.22 110.864 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.528 HD22 ' OE1' ' B' ' 77' ' ' GLU . 4.3 pp -78.83 -36.35 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 54.1 110.956 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.495 ' N ' HD12 ' B' ' 82' ' ' LEU . 35.5 t70 -56.03 -55.51 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.874 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -61.7 -33.29 73.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.877 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.5 HD13 HD12 ' B' ' 76' ' ' LEU . 0.5 OUTLIER -62.61 -55.89 22.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 54.43 110.969 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.49 -21.44 61.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.947 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -40.1 46.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.931 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 2.1 t -146.99 -42.17 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.32 111.115 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.809 ' HA2' HD12 ' B' ' 62' ' ' ILE . . . 119.64 111.95 2.38 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.702 -0.761 . . . . 63.54 112.465 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -137.33 130.36 30.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.31 110.877 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.539 ' H ' HD23 ' B' ' 91' ' ' LEU . 0.8 OUTLIER -80.15 -31.39 38.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 71.1 110.9 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.473 0.699 0 O-C-N 117.595 -3.191 . . . . 74.33 108.673 -170.696 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 121.392 0.44 . . . . 73.05 112.552 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.66 20.02 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.659 2.24 . . . . 72.13 112.376 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.93 -170.37 35.04 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.722 -0.751 . . . . 74.45 112.466 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -101.19 -176.25 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 64.24 110.91 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -153.92 162.72 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 m -108.43 -173.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 64.2 111.108 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -143.24 128.86 19.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.02 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.7 150.36 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.154 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.726 HG21 HD11 ' A' ' 36' ' ' ILE . 3.3 mp -139.63 153.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.235 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.601 HD13 ' HE3' ' A' ' 23' ' ' LYS . 11.1 tt -132.65 136.49 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 75.12 111.141 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.8 12.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.956 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.14 152.77 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.02 111.098 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.966 HH12 ' HA ' ' B' ' 16' ' ' CYS . 1.8 mtt180 -66.43 160.12 68.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 75.43 110.853 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.88 87.75 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 44.33 112.266 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.8 97.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.686 -0.769 . . . . 50.14 112.51 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.024 ' C ' HH12 ' B' ' 13' ' ' ARG . 0.0 OUTLIER -177.6 -110.79 0.0 OUTLIER Pre-proline 1 N--CA 1.374 -4.27 2 N-CA-C 86.928 -8.916 . . . . 73.01 86.928 -176.219 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.699 ' N ' HH12 ' B' ' 13' ' ' ARG . 53.1 Cg_endo -34.24 -176.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 1 C-N-CA 135.025 10.484 . . . . 73.45 112.279 -161.741 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -64.52 -77.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 115.564 -2.16 . . . . 62.24 111.34 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.74 47.13 0.15 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 125.021 1.328 . . . . 62.22 110.902 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -42.49 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.52 111.109 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.5 -47.13 80.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 73.5 110.94 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.07 -53.87 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.14 111.126 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HE3' HD13 ' A' ' 10' ' ' ILE . 25.7 mmtp -63.97 -45.71 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.852 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.59 -60.36 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 52.35 111.103 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.622 HD11 ' HG2' ' A' ' 77' ' ' GLU . 21.8 tp -51.82 -53.88 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.908 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 33' ' ' PHE . 17.9 mt -58.18 -22.47 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.902 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.89 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 70.52 111.1 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.41 -35.56 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.848 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -107.96 16.28 23.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.05 110.868 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.41 20.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 54.52 112.425 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.01 156.77 39.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.825 0.345 . . . . 74.14 111.05 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.23 157.79 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.706 ' HB3' HD13 ' A' ' 26' ' ' LEU . 24.0 p90 -170.23 153.45 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.894 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.53 127.12 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 65.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.35 155.65 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.905 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.726 HD11 HG21 ' A' ' 9' ' ' ILE . 77.7 mt -130.34 124.57 57.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 61.12 111.14 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.45 98.1 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.951 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.58 179.22 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.036 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.31 26.35 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.43 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.52 -35.93 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 64.01 111.162 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.94 147.58 63.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.727 . . . . 74.14 111.158 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.8 Cg_endo -69.72 -14.63 36.47 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.276 . . . . 75.14 112.369 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.35 -48.51 19.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.887 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.7 -57.87 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.958 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 16.5 ptm180 -53.49 -28.32 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 62.32 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' PRO . . . -71.29 -36.46 71.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 61.52 111.159 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.0 -49.04 40.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.979 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.39 -20.34 66.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 63.33 110.8 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -63.5 -53.48 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 73.25 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.42 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.862 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.26 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.832 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -51.94 163.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 65.22 110.845 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.92 117.1 3.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.504 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.93 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 51.02 110.902 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -106.46 49.18 0.81 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 74.0 111.9 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.698 HG23 ' CD2' ' A' ' 57' ' ' PHE . 3.6 t -94.49 -26.91 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 120.976 -1.078 . . . . 71.45 111.14 -176.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.698 ' CD2' HG23 ' A' ' 56' ' ' THR . 1.7 p90 -138.86 157.35 71.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.691 0.758 . . . . 75.42 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.22 3.82 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.813 2.342 . . . . 74.01 112.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.92 125.14 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.87 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.009 HG21 HD13 ' A' ' 73' ' ' LEU . 41.3 mm -96.5 115.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.125 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.18 117.31 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.889 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.635 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.9 pt -114.22 95.44 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 71.1 111.097 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.05 -97.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.505 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.2 38.81 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 72.22 110.855 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -139.4 143.05 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.53 111.182 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.45 145.76 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.9 t -135.41 138.13 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 63.24 111.111 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.14 -48.14 40.14 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 70.35 112.555 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.17 -155.81 26.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.656 -0.783 . . . . 63.14 112.507 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -52.06 -29.95 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 75.5 110.93 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.59 -54.35 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 51.11 110.796 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.42 -41.64 21.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 74.15 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.009 HD13 HG21 ' A' ' 60' ' ' ILE . 3.6 tp -52.0 -29.87 22.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.914 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.69 -37.95 29.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.9 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 70.11 111.11 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.95 -42.26 75.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.912 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.622 ' HG2' HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -59.09 -30.43 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 70.43 110.964 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.02 -41.48 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.926 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -70.08 -29.84 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.15 110.973 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.2 33.39 3.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 62.15 112.524 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 64.23 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 77' ' ' GLU . 3.1 pp -87.42 -38.06 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.63 -59.91 3.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.851 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.6 -26.37 67.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.76 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.635 ' HG ' HG21 ' A' ' 62' ' ' ILE . 2.6 tt -68.68 -42.14 78.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.939 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 86' ' ' LEU . 4.6 pp -89.83 -15.03 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.909 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.98 20.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 63.2 110.929 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.0 p -145.53 -52.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.25 111.132 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.31 41.34 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 63.02 112.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.26 137.86 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 74.32 110.942 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.44 -20.49 50.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.975 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 C--O 1.244 0.773 0 O-C-N 120.695 -1.253 . . . . 75.15 109.454 179.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 121.414 0.452 . . . . 73.05 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.58 20.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.603 2.202 . . . . 72.13 112.378 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.93 -170.49 35.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 74.45 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -101.19 -176.24 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 64.24 110.929 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -153.99 162.66 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.889 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m -108.32 -173.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 64.2 111.098 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -143.23 128.92 19.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.509 . . . . 61.02 110.935 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.82 150.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.116 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.707 HG21 HD11 ' B' ' 36' ' ' ILE . 3.4 mp -139.69 153.23 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.45 111.085 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.614 HD13 ' HE3' ' B' ' 23' ' ' LYS . 11.2 tt -132.75 136.47 55.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.098 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -92.53 99.84 12.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.894 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -164.19 152.71 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.133 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 1.024 HH12 ' C ' ' A' ' 16' ' ' CYS . 1.8 mtt180 -66.31 160.07 67.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 75.43 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 87.72 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.732 2.288 . . . . 44.33 112.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.7 95.3 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.695 -0.764 . . . . 50.14 112.473 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.966 ' HA ' HH12 ' A' ' 13' ' ' ARG 0.273 0.8 OUTLIER -173.05 -66.93 0.0 OUTLIER Pre-proline 0 N--CA 1.408 -2.54 0 C-N-CA 116.039 -2.264 . . . . 73.01 108.968 -169.859 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' B' ' 16' ' ' CYS . 53.0 Cg_endo -75.64 -174.66 2.1 Favored 'Trans proline' 0 C--O 1.231 0.145 1 C-N-CA 130.695 7.597 . . . . 73.45 112.27 -179.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 114.584 -2.626 . . . . 62.24 110.746 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p 33.57 47.1 0.14 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 121.251 1.841 . . . . 62.22 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -42.42 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.48 -47.22 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.402 ' HB1' HD12 ' B' ' 10' ' ' ILE . . . -57.01 -53.97 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.069 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.614 ' HE3' HD13 ' B' ' 10' ' ' ILE . 25.6 mmtp -63.9 -45.72 88.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.879 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.69 -60.34 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 52.35 111.089 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.604 HD11 ' HG2' ' B' ' 77' ' ' GLU . 21.8 tp -51.88 -53.71 37.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.954 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' B' ' 33' ' ' PHE . 17.8 mt -58.32 -22.38 52.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.891 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.6 -20.03 25.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.52 111.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -78.29 -35.67 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.799 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? -107.86 16.17 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 71.05 110.939 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.84 27.42 20.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 54.52 112.506 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.69 39.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 74.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -83.1 157.75 22.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.709 ' HB3' HD13 ' B' ' 26' ' ' LEU . 23.8 p90 -170.18 153.54 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.941 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -142.55 127.08 17.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 65.51 110.935 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -77.33 155.65 31.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.96 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.707 HD11 HG21 ' B' ' 9' ' ' ILE . 77.7 mt -130.27 124.56 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.286 -0.415 . . . . 61.12 111.15 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -82.51 98.09 8.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.963 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.47 179.24 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.195 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.1 t 61.32 26.36 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 54.43 110.799 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.46 -36.12 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 64.01 111.167 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.92 147.59 63.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.613 0.72 . . . . 74.14 111.115 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 54.0 Cg_endo -69.7 -14.69 36.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 75.14 112.384 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.33 -48.58 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.65 -57.87 7.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 73.25 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 16.5 ptm180 -53.45 -28.38 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 62.32 110.903 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' B' ' 42' ' ' PRO . . . -71.24 -36.56 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 61.52 111.071 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.99 -49.06 40.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 8.3 ptm -64.27 -20.39 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 63.33 110.859 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -63.45 -53.54 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.861 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.38 -36.15 82.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.912 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -90.01 10.15 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.14 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -51.94 163.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 65.22 110.876 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.04 117.02 3.01 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.665 -0.779 . . . . 72.02 112.438 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 62.91 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 51.02 110.893 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.94 47.6 0.87 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.527 0.936 . . . . 74.0 113.527 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.696 HG23 ' CD2' ' B' ' 57' ' ' PHE . 3.7 t -90.4 -26.88 19.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.453 . . . . 71.45 111.186 -175.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.696 ' CD2' HG23 ' B' ' 56' ' ' THR . 1.7 p90 -138.89 157.27 71.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 75.42 110.928 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 179.24 3.83 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.777 2.318 . . . . 74.01 112.325 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -105.93 125.09 50.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.872 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.966 HG21 HD13 ' B' ' 73' ' ' LEU . 41.4 mm -96.53 115.76 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.24 111.153 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.14 117.32 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.898 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.635 HG21 ' HG ' ' B' ' 85' ' ' LEU . 2.9 pt -114.22 95.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.1 111.076 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.16 -97.53 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 73.11 112.437 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.8 m -129.26 38.8 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 72.22 110.827 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 89.2 t -139.38 143.06 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 72.53 111.163 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.38 145.73 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.36 138.18 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 63.24 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.29 -48.11 41.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 70.35 112.456 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.82 26.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.683 -0.77 . . . . 63.14 112.426 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -51.93 -30.06 22.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 75.5 110.868 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -53.5 -54.48 36.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 51.11 110.747 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -81.37 -41.68 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 74.15 110.846 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.966 HD13 HG21 ' B' ' 60' ' ' ILE . 3.6 tp -52.0 -29.78 22.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 71.54 110.922 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -80.73 -37.88 29.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.938 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.46 -55.89 29.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.11 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -55.96 -42.19 75.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 70.31 110.854 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.604 ' HG2' HD11 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -59.12 -30.49 68.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.879 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.03 -41.46 25.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 72.43 110.913 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -70.0 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 75.15 110.925 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.25 33.43 3.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.674 -0.774 . . . . 62.15 112.483 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -116.73 29.98 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 64.23 110.779 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' B' ' 77' ' ' GLU . 3.1 pp -87.45 -38.02 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.77 -59.8 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -66.63 -26.35 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 70.43 110.776 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.635 ' HG ' HG21 ' B' ' 62' ' ' ILE . 2.6 tt -68.68 -42.08 78.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.05 110.956 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.408 ' C ' HD12 ' B' ' 86' ' ' LEU . 4.6 pp -89.89 -15.0 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.944 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -25.97 20.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 63.2 110.932 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -145.6 -52.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 64.25 111.067 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.36 41.19 7.06 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.709 -0.758 . . . . 63.02 112.556 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.2 138.02 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 74.32 110.895 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 pp -78.6 -18.22 54.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 64.13 110.945 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.7 mm . . . . . 0 C--O 1.249 1.046 0 N-CA-C 107.755 -1.202 . . . . 75.15 107.755 173.077 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.446 0.47 . . . . 63.32 112.574 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.75 164.37 34.78 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.769 2.313 . . . . 71.03 112.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.16 175.62 25.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 54.52 112.508 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -115.81 157.23 24.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 51.23 110.845 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.3 ptm -165.69 171.68 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 70.12 110.838 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 88' ' ' THR . 30.6 m -81.65 -177.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.048 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.86 143.88 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 71.22 110.851 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.795 HG22 HG23 ' A' ' 62' ' ' ILE . 20.7 t -86.31 134.52 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.105 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -135.01 148.23 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.52 111.186 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.698 HD11 ' CG ' ' A' ' 58' ' ' PRO . 19.8 tt -133.36 134.31 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.187 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.441 ' CD1' HD12 ' A' ' 36' ' ' ILE . 19.9 m-85 -97.32 100.28 11.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 62.5 110.934 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.77 173.79 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 60.42 111.089 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.83 159.6 34.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.734 . . . . 74.13 110.899 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -14.78 36.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 51.54 112.32 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.59 116.05 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 70.44 112.475 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 159.5 -51.18 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 127.596 2.359 . . . . 43.43 113.639 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.97 -171.78 0.44 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 CA-C-N 119.073 0.705 . . . . 62.43 112.349 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.25 39.46 0.72 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.377 1.084 . . . . 62.54 112.259 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -93.19 -11.59 32.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.327 -1.483 . . . . 63.13 110.885 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.6 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 62.35 111.108 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.46 -59.18 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 64.3 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.35 -37.64 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 72.1 111.071 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.672 ' HE3' HG21 ' A' ' 10' ' ' ILE . 34.8 mmtm -67.88 -35.05 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 53.21 110.899 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 52.45 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD23 ' HG ' ' A' ' 73' ' ' LEU . 16.6 tp -56.07 -45.48 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 31.34 110.92 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 31' ' ' ALA . 14.4 mt -55.99 -25.5 44.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.886 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.1 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 111.133 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.28 -24.14 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.881 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.771 ' HD2' HD13 ' A' ' 82' ' ' LEU . 11.0 pttt -117.56 17.59 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 70.52 110.944 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.87 27.82 22.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 42.22 112.538 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . . . -70.08 170.02 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 72.21 111.087 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -104.98 159.76 15.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.92 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -168.63 159.82 10.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 63.54 110.904 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.5 120.7 12.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.89 154.97 24.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' A' ' 11' ' ' TYR . 71.3 mt -132.78 115.98 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 70.24 111.183 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.68 109.87 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.41 110.923 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.51 179.94 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 52.41 111.081 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.18 27.01 15.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.43 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 -33.95 3.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.137 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.95 147.61 64.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 74.14 111.189 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . 53.4 Cg_endo -69.77 -15.55 37.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 71.42 112.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.8 mt -68.15 -55.95 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 63.52 110.91 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 7.9 ptm180 -52.19 -33.85 42.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.828 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.31 94.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.055 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.68 -59.55 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 73.5 110.823 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.15 -26.82 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 64.53 110.843 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.13 -26.06 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 44.2 110.851 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -52.16 -54.78 26.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.922 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -74.77 -57.99 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.22 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 t 60.44 46.24 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.841 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.31 -149.57 24.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 63.41 112.508 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.27 170.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 74.32 110.852 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -131.34 22.34 4.78 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 122.931 0.492 . . . . 74.42 111.053 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.25 -52.86 12.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.833 0.349 . . . . 72.25 111.116 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.38 158.15 47.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.735 0.778 . . . . 72.14 110.858 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.698 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.3 Cg_endo -69.77 176.31 6.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 71.35 112.313 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.32 111.44 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.976 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 10' ' ' ILE . 37.7 mm -91.82 144.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.111 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.7 139.82 31.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.795 HG23 HG22 ' A' ' 8' ' ' VAL . 5.1 mt -144.13 98.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.35 111.113 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' VAL . . . 52.12 72.27 0.54 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.475 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.68 55.52 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 74.4 110.868 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 63' ' ' GLY . 56.6 t -140.03 104.9 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.31 111.157 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.83 110.24 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 61.31 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.12 127.83 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 53.44 111.211 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.15 -45.96 27.24 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.726 -0.75 . . . . 62.45 112.455 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.14 -151.52 23.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 72.15 112.459 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.22 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 54.25 110.889 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -49.85 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 70.54 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -80.8 -44.04 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 65.43 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.475 ' HG ' HD23 ' A' ' 25' ' ' LEU . 11.9 tp -51.79 -42.1 62.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 52.22 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.06 -40.82 60.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.875 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.35 -52.41 59.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 64.13 111.006 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.71 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 71.43 110.886 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.9 -41.52 98.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 70.13 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.4 -52.97 62.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.31 -30.03 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.875 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.0 49.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 73.12 112.533 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.05 29.94 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 74.34 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 29' ' ' LYS . 3.7 pp -88.95 -37.03 15.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.964 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' N ' HD12 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -55.48 -60.92 2.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 70.1 110.847 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -65.98 -22.19 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 65.11 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 62' ' ' ILE . 1.1 tt -69.65 -51.37 35.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.914 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.4 pp -75.33 -9.93 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.879 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -40.1 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.55 110.877 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.623 ' O ' HG21 ' A' ' 6' ' ' VAL . 2.0 t -140.94 -41.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 51.44 111.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.27 109.43 2.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 64.11 112.508 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -144.63 139.07 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 73.22 110.895 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.77 -19.99 22.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 62.2 110.947 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mt . . . . . 0 C--O 1.246 0.915 0 O-C-N 121.105 -0.997 . . . . 70.32 108.592 -177.208 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 121.487 0.493 . . . . 63.32 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 164.4 34.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.788 2.326 . . . . 71.03 112.29 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.16 175.54 25.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 54.52 112.5 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -115.75 157.19 24.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 51.23 110.779 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 13.3 ptm -165.73 171.63 12.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 70.12 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 88' ' ' THR . 30.3 m -81.61 -177.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.023 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -161.88 143.89 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 71.22 110.844 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.789 HG22 HG23 ' B' ' 62' ' ' ILE . 21.0 t -86.34 134.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 71.34 111.1 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.95 148.25 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 73.52 111.168 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.703 HD11 ' CG ' ' B' ' 58' ' ' PRO . 19.8 tt -133.34 134.33 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.131 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.443 ' CD1' HD12 ' B' ' 36' ' ' ILE . 19.9 m-85 -97.35 100.24 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 62.5 110.9 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -175.73 173.73 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 60.42 111.125 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -61.76 159.51 34.31 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 74.13 110.968 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -14.63 36.35 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 51.54 112.369 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.56 116.34 0.39 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.79 -0.719 . . . . 70.44 112.49 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.45 ' SG ' ' HD3' ' B' ' 17' ' ' PRO 0.256 25.1 p 154.11 -39.34 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 129.225 3.01 . . . . 43.43 116.581 173.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.45 ' HD3' ' SG ' ' B' ' 16' ' ' CYS . 53.7 Cg_endo -70.27 -172.02 0.58 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 117.13 -1.447 . . . . 62.43 112.331 170.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -86.97 49.0 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.468 1.127 . . . . 62.54 110.819 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.81 -11.51 20.71 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.095 -1.003 . . . . 63.13 110.909 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -27.56 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 62.35 111.035 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -53.52 -59.2 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 64.3 110.812 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.67 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.1 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.683 ' HE3' HG21 ' B' ' 10' ' ' ILE . 34.9 mmtm -67.93 -35.09 77.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 53.21 110.848 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.62 -64.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 52.45 111.136 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.476 HD23 ' HG ' ' B' ' 73' ' ' LEU . 16.7 tp -56.02 -45.47 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 31.34 110.914 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' B' ' 31' ' ' ALA . 14.4 mt -56.06 -25.43 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 70.42 110.866 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.98 -20.1 23.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.225 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.37 -24.12 57.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.768 ' HD2' HD13 ' B' ' 82' ' ' LEU . 11.1 pttt -117.51 17.59 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 70.52 110.903 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.83 27.92 22.14 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.724 -0.751 . . . . 42.22 112.49 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' B' ' 29' ' ' LYS . . . -70.08 170.04 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 72.21 111.053 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -104.96 159.75 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 71.43 110.97 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -168.63 159.78 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 63.54 110.801 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -142.42 120.71 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.915 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -82.88 155.06 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.906 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' B' ' 11' ' ' TYR . 71.7 mt -132.81 115.95 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 70.24 111.136 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.77 110.0 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.853 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.58 179.98 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 52.41 111.042 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.0 t 63.17 26.97 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 75.43 110.852 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.57 -33.86 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 72.54 111.082 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.97 147.64 64.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 74.14 111.169 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' B' ' 45' ' ' ARG . 52.8 Cg_endo -69.87 -15.55 36.73 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.718 2.279 . . . . 71.42 112.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.94 -42.69 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.892 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.6 mt -68.15 -56.07 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 63.52 110.888 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 ptm180 -52.09 -33.9 41.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.45 110.81 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.29 94.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.128 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.71 -59.39 4.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.897 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 61.7 mtp -63.32 -26.75 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.53 110.845 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -68.11 -25.98 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 44.2 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.15 -54.76 26.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.923 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -74.82 -58.02 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.849 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t 60.52 46.2 9.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 61.33 110.796 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.3 -149.59 24.55 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -54.23 169.3 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 74.32 110.846 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.97 26.66 4.6 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.994 -0.441 . . . . 74.42 111.362 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -52.83 11.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.839 0.352 . . . . 72.25 111.155 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -118.36 158.04 47.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.683 0.754 . . . . 72.14 110.955 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.703 ' CG ' HD11 ' B' ' 10' ' ' ILE . 53.8 Cg_endo -69.63 176.33 6.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.757 2.304 . . . . 71.35 112.339 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.33 111.51 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.402 ' CD1' HD12 ' B' ' 10' ' ' ILE . 37.9 mm -91.84 144.77 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.096 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -142.68 139.82 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 75.33 110.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.789 HG23 HG22 ' B' ' 8' ' ' VAL . 5.2 mt -144.02 98.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.402 ' O ' HG23 ' B' ' 65' ' ' VAL . . . 52.03 72.36 0.53 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.822 -0.704 . . . . 70.43 112.53 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 51.57 55.59 9.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 74.4 110.946 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 63' ' ' GLY . 56.1 t -140.07 104.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 72.31 111.125 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -69.93 110.23 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.895 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.06 127.8 70.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.474 . . . . 53.44 111.137 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.07 -46.02 26.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.814 -0.708 . . . . 62.45 112.475 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 154.12 -151.54 23.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 72.15 112.476 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -51.78 -36.18 46.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 54.25 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -49.9 62.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 70.54 110.837 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -80.73 -44.07 19.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 65.43 110.852 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.476 ' HG ' HD23 ' B' ' 25' ' ' LEU . 11.8 tp -51.84 -42.04 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 52.22 110.915 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -75.0 -40.9 60.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 73.24 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.46 59.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 64.13 111.05 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.5 mt -55.54 -41.7 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.904 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.83 -41.48 97.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 70.13 110.943 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.46 -52.92 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 62.14 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -63.43 -29.86 71.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.935 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 101.98 49.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 73.12 112.534 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -130.14 29.97 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 74.34 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' B' ' 29' ' ' LYS . 3.7 pp -89.04 -37.12 15.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.89 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -60.96 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 70.1 110.882 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 4.6 t -66.07 -22.19 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.805 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.603 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.1 tt -69.68 -51.23 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.957 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.603 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.4 pp -75.4 -9.91 58.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.924 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.42 -40.09 16.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 65.55 110.868 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.624 ' O ' HG21 ' B' ' 6' ' ' VAL . 2.0 t -140.9 -41.87 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 51.44 111.206 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.34 109.48 2.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.664 -0.779 . . . . 64.11 112.426 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -144.65 138.98 27.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 73.22 110.962 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.73 -18.62 23.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 62.2 110.919 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.242 0.709 0 N-CA-C 107.004 -1.48 . . . . 70.32 107.004 178.596 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 121.462 0.479 . . . . 41.32 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.68 -47.56 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.274 . . . . 63.21 112.338 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.56 169.05 12.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.857 -0.687 . . . . 51.05 112.518 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -120.14 127.48 52.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.778 0.323 . . . . 45.34 110.911 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.16 -171.68 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.95 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 88' ' ' THR . 2.3 t -93.37 163.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 62.44 111.161 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.21 138.42 54.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 52.13 110.907 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 62' ' ' ILE . 16.5 t -79.82 140.24 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.115 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.66 146.15 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.122 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.659 HG21 ' CE ' ' A' ' 23' ' ' LYS . 13.0 tt -144.57 133.85 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.124 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -89.96 101.4 14.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 73.44 110.907 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 t -176.08 160.07 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 65.3 111.153 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -69.0 159.81 81.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 63.31 110.802 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.73 24.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 52.22 112.315 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.46 105.65 0.18 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.709 -0.758 . . . . 51.02 112.439 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' HB3' ' HD3' ' A' ' 17' ' ' PRO . 37.3 t 166.51 -51.16 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 C-N-CA 127.137 2.175 . . . . 73.43 113.915 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 16' ' ' CYS . 53.8 Cg_endo -72.13 -170.71 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 O-C-N 121.829 0.384 . . . . 62.41 112.405 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -92.76 38.13 1.02 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.78 0.8 . . . . 71.34 111.303 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 p -93.85 30.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 120.984 -1.073 . . . . 64.45 110.832 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.88 33.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 53.14 111.102 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -68.2 -61.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.21 110.9 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -51.22 -40.64 59.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 75.22 111.045 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' CE ' HG21 ' A' ' 10' ' ' ILE . 23.1 mmtp -74.01 -34.61 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.875 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 65.31 111.058 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD23 ' CD1' ' A' ' 73' ' ' LEU . 8.4 tp -70.46 -51.21 30.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 54.23 110.907 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 33' ' ' PHE . 9.2 mt -53.02 -32.45 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 75.23 110.906 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.72 70.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.031 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -39.2 57.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.858 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HE2' HD22 ' A' ' 82' ' ' LEU . 9.3 ptpt -90.02 10.6 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.61 22.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.714 -0.755 . . . . 63.41 112.555 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.545 ' HB3' HD23 ' A' ' 26' ' ' LEU . . . -75.59 149.23 38.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 61.12 111.034 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -99.25 118.86 36.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 26' ' ' LEU . 20.0 p90 -118.86 177.85 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 75.43 110.827 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.11 113.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 63.35 110.76 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.42 141.02 37.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 75.23 110.897 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.779 HG21 HD22 ' A' ' 44' ' ' LEU . 67.8 mt -116.92 119.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 73.22 111.088 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.19 102.96 9.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 75.41 110.893 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.34 -179.91 7.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 63.04 111.093 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.78 24.21 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 61.31 110.856 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.26 13.15 4.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 62.01 111.129 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.691 ' CG2' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -178.12 147.24 0.59 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 73.51 111.163 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.59 37.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.643 2.229 . . . . 52.32 112.306 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.39 -44.66 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.23 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.779 HD22 HG21 ' A' ' 36' ' ' ILE . 8.3 mt -90.07 -46.99 8.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.901 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -52.07 -33.58 39.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.829 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.14 95.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.119 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.37 -51.05 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 64.3 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.2 mmm -63.78 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 72.1 110.947 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.66 -25.73 68.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.846 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -52.09 -44.54 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.83 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.51 -59.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 64.53 110.911 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.92 33.72 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.05 110.894 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.85 -161.65 5.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.789 -0.72 . . . . 45.52 112.446 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.905 HH22 HH12 ' B' ' 21' ' ' ARG . 12.1 mmt180 -59.06 179.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 72.52 110.865 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' HB3' ' CD1' ' B' ' 18' ' ' TYR 0.292 0.1 OUTLIER -95.26 50.88 1.28 Allowed 'General case' 0 N--CA 1.479 0.992 0 O-C-N 118.429 -2.669 . . . . 73.11 109.969 -179.733 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.8 p -70.72 -172.73 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 113.861 -1.518 . . . . 70.04 111.166 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.5 156.88 1.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.734 0.778 . . . . 72.41 110.846 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' CG ' HD11 ' A' ' 10' ' ' ILE . 53.2 Cg_endo -69.85 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 65.34 112.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.47 112.98 26.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 65.1 110.863 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.806 HG21 HD23 ' A' ' 73' ' ' LEU . 32.7 mm -89.86 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.079 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.727 ' O ' HD13 ' A' ' 62' ' ' ILE . 2.9 m-85 -142.91 131.74 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.89 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.806 HG21 ' HG ' ' A' ' 85' ' ' LEU . 2.5 mm -129.67 104.04 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.11 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.418 ' CA ' HG11 ' A' ' 6' ' ' VAL . . . 66.82 -89.09 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 73.23 112.533 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.27 24.55 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.943 0.401 . . . . 74.23 110.895 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 62' ' ' ILE . 8.0 p -107.27 149.71 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 73.15 111.119 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.84 124.47 48.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.3 110.89 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 69' ' ' GLY . 96.0 t -124.33 123.55 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 70.22 111.153 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.94 -37.42 35.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.713 -0.756 . . . . 51.44 112.468 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' H ' HG12 ' A' ' 67' ' ' VAL . . . 154.98 -146.2 13.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.676 -0.773 . . . . 62.51 112.452 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.6 t -58.29 -22.74 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 75.1 110.844 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.89 -59.1 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.823 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.09 -35.11 25.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 44.55 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 60' ' ' ILE . 1.8 tm? -51.74 -46.02 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.854 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -77.04 -28.32 54.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 75.23 110.839 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.69 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 75.23 111.131 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 81' ' ' LYS . 91.7 mt -59.99 -39.61 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.578 ' HB2' HD21 ' A' ' 25' ' ' LEU . 8.9 tp10 -59.39 -36.54 76.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 74.53 110.832 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.65 -56.41 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.807 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.14 -21.04 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.23 21.46 35.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 75.02 112.496 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HB2' HD22 ' A' ' 76' ' ' LEU . 3.3 mmtt -77.27 -14.85 59.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 75.41 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.574 HD22 ' HE2' ' A' ' 29' ' ' LYS . 2.4 pp -50.75 -36.34 36.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.3 -65.03 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 71.44 110.936 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.15 -17.75 63.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 54.11 110.854 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.806 ' HG ' HG21 ' A' ' 62' ' ' ILE . 1.8 tt -74.72 -51.81 13.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.939 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.577 ' N ' HD23 ' A' ' 85' ' ' LEU . 4.5 pp -75.24 -9.84 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 53.3 110.862 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.53 -40.2 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 70.11 110.868 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 6' ' ' VAL . 1.7 t -139.53 -41.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.03 111.157 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 65.35 1.41 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 65.01 112.554 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.15 149.35 46.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.835 0.35 . . . . 62.41 110.822 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.56 -24.73 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 74.54 110.934 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 C--O 1.246 0.905 0 CA-C-O 116.316 -1.802 . . . . 64.02 109.327 -176.865 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 121.433 0.463 . . . . 41.32 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -47.53 0.91 Allowed 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.782 2.321 . . . . 63.21 112.309 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 142.57 169.04 12.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 51.05 112.527 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -120.16 127.58 52.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 45.34 110.917 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.25 -171.73 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 88' ' ' THR . 2.3 t -93.35 163.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 62.44 111.075 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -124.29 138.37 54.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 52.13 110.781 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.716 HG13 ' CD1' ' B' ' 62' ' ' ILE . 16.5 t -79.85 140.33 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 75.33 111.141 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.73 146.11 34.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.157 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.652 HG21 ' CE ' ' B' ' 23' ' ' LYS . 12.9 tt -144.49 133.72 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.147 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -89.95 101.41 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.92 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.4 t -176.08 160.09 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 65.3 111.122 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -68.81 159.81 80.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 63.31 110.909 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.602 2.202 . . . . 52.22 112.345 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.44 105.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 51.02 112.469 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.17 -53.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.547 0 C-N-CA 127.019 2.128 . . . . 73.43 112.364 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.37 -169.7 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 118.452 0.483 . . . . 62.41 112.423 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 55' ' ' ASN . 3.2 m-85 -100.87 46.36 0.95 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.528 1.156 . . . . 71.34 109.022 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.89 30.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.998 -1.001 . . . . 64.45 110.84 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.86 -23.86 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 53.14 111.118 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.905 HH12 HH22 ' A' ' 54' ' ' ARG . 13.1 mmt85 -68.32 -60.98 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 65.21 110.908 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.423 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -51.32 -40.6 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.018 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.652 ' CE ' HG21 ' B' ' 10' ' ' ILE . 23.1 mmtp -74.01 -34.58 64.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.64 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 65.31 111.143 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.722 HD23 ' CD1' ' B' ' 73' ' ' LEU . 8.5 tp -70.39 -51.23 31.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 54.23 110.981 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' B' ' 33' ' ' PHE . 9.2 mt -53.12 -32.4 47.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 75.23 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.7 70.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.093 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.81 -39.2 57.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 65.23 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.579 ' HE2' HD22 ' B' ' 82' ' ' LEU . 9.2 ptpt -90.06 10.76 22.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 51.98 27.57 22.19 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.754 -0.736 . . . . 63.41 112.514 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.526 ' HB3' HD23 ' B' ' 26' ' ' LEU . . . -75.55 149.25 38.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 61.12 111.07 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -99.15 118.75 36.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 74.33 110.923 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.561 ' CD2' HD13 ' B' ' 26' ' ' LEU . 20.0 p90 -118.82 177.92 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.806 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -146.17 113.47 6.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 63.35 110.765 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.33 140.91 37.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 75.23 110.954 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.771 HG21 HD22 ' B' ' 44' ' ' LEU . 67.1 mt -116.84 119.35 61.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 73.22 111.154 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.11 103.02 9.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 75.41 110.839 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.38 -179.9 7.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 63.04 111.038 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p 57.87 24.13 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.772 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.19 13.0 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 62.01 111.16 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.69 ' CG2' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -178.03 147.3 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 73.51 111.142 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.67 37.56 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 52.32 112.324 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.35 -44.72 58.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.883 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.771 HD22 HG21 ' B' ' 36' ' ' ILE . 8.2 mt -90.01 -46.98 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.935 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -51.96 -33.58 38.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.23 95.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.23 111.091 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -69.3 -51.06 40.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.9 mmm -63.75 -32.45 73.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.1 110.917 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.57 -25.89 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.804 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.92 -44.56 63.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -97.58 -59.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.515 . . . . 64.53 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t 51.91 33.75 12.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 72.05 110.862 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.83 -161.69 5.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 45.52 112.537 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.0 -179.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 72.52 110.918 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -76.79 34.99 0.15 Allowed 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 126.977 2.111 . . . . 73.11 114.801 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -79.08 -172.81 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 120.936 -1.102 . . . . 70.04 111.193 -172.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -51.37 156.76 1.91 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 72.41 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -170.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.752 2.301 . . . . 65.34 112.358 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -107.37 113.0 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 65.1 110.873 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.771 HG21 HD23 ' B' ' 73' ' ' LEU . 32.8 mm -89.95 141.84 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 71.24 111.043 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.73 ' O ' HD13 ' B' ' 62' ' ' ILE . 2.9 m-85 -142.95 131.74 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.894 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.804 HG21 ' HG ' ' B' ' 85' ' ' LEU . 2.5 mm -129.7 104.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 74.11 111.064 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.413 ' CA ' HG11 ' B' ' 6' ' ' VAL . . . 66.93 -89.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.681 -0.771 . . . . 73.23 112.5 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -139.25 24.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 74.23 110.82 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.677 HG12 ' O ' ' B' ' 62' ' ' ILE . 8.0 p -107.3 149.65 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 73.15 111.114 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -102.7 124.44 48.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.872 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.487 HG12 ' H ' ' B' ' 69' ' ' GLY . 96.8 t -124.43 123.5 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 70.22 111.1 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -37.45 35.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 51.44 112.523 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.487 ' H ' HG12 ' B' ' 67' ' ' VAL . . . 155.0 -146.14 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 62.51 112.521 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 39.8 t -58.28 -22.71 53.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 75.1 110.827 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -51.9 -59.1 4.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.85 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.94 -35.26 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 44.55 110.849 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.771 HD23 HG21 ' B' ' 60' ' ' ILE . 1.8 tm? -51.84 -45.9 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.907 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.03 -28.33 54.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.918 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.79 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.23 111.045 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' B' ' 81' ' ' LYS . 91.8 mt -59.95 -39.59 86.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.957 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.57 ' HB2' HD21 ' B' ' 25' ' ' LEU . 8.9 tp10 -59.39 -36.49 75.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 74.53 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -56.45 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -66.07 -21.03 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.852 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.46 35.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 75.02 112.509 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . 0.534 ' HB2' HD22 ' B' ' 76' ' ' LEU . 3.3 mmtt -77.26 -14.85 59.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 75.41 110.94 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.579 HD22 ' HE2' ' B' ' 29' ' ' LYS . 2.4 pp -50.78 -36.26 36.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 74.41 110.875 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -56.33 -65.02 0.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.953 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 m -64.11 -17.79 63.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 54.11 110.879 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.804 ' HG ' HG21 ' B' ' 62' ' ' ILE . 1.8 tt -74.74 -51.87 13.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 71.31 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.577 ' N ' HD23 ' B' ' 85' ' ' LEU . 4.5 pp -75.16 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 53.3 110.984 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -40.15 13.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.11 110.923 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' THR . . . . . 0.443 ' O ' HG21 ' B' ' 6' ' ' VAL . 1.6 t -139.57 -41.1 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.102 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.51 65.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.719 . . . . 65.01 112.514 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 149.4 46.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 62.41 110.828 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.62 -21.55 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.896 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 tt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 116.974 -1.488 . . . . 64.02 110.702 179.131 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' AG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_