data_5syq_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 5syq _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 ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -75.49 138.12 41.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -83.01 -179.4 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -164.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' A' ' 71' ' ' LYS . 34.9 mt -123.0 74.7 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -168.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 71.1 p -90.85 155.37 45.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.107 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.53 -17.11 58.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -86.29 -46.02 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.01 -38.65 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.1 mt -66.93 -23.94 66.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -171.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 94.6 mt-10 -60.91 -30.66 70.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -176.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.516 ' C ' HD11 ' A' ' 48' ' ' LEU . 2.2 pp -63.57 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -177.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.31 -59.22 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 63.5 pttt -64.28 -26.0 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -63.21 -48.44 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.8 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.3 mmt -76.2 -16.26 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.57 36.09 75.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.2 mt -71.34 129.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.108 -171.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 36.7 p -98.06 159.93 29.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.7 Cg_endo -60.03 -18.81 52.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.365 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.3 -50.62 30.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -105.8 21.09 17.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -63.57 -54.29 38.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -63.22 -30.37 71.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.91 -45.48 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -71.08 -37.97 72.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.71 -27.65 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -75.35 -54.69 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -63.98 -26.62 68.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -96.63 2.62 52.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.6 t30 54.13 60.94 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 t30 66.49 35.75 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.422 ' O ' HD22 ' A' ' 46' ' ' LEU . 81.7 m-85 52.6 35.33 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 41' ' ' LEU . 67.1 mmtt -98.18 98.46 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mp -128.66 129.23 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.0 mt -97.03 150.13 21.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -170.53 170.92 6.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -151.86 81.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.12 26.7 67.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -147.78 -169.57 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -172.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 80' ' ' TRP . 32.7 p-90 -51.78 140.73 18.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -101.89 144.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 78' ' ' TRP . 45.6 p90 -135.41 156.0 49.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.84 132.22 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.56 125.69 22.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.36 -11.67 65.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.25 7.03 15.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' HA ' HG12 ' A' ' 88' ' ' ILE . 22.2 pm0 -63.33 -14.87 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 169.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -81.11 -14.05 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 171.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -108.03 27.77 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 85' ' ' GLU . 51.1 mm -99.08 140.07 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.11 13.27 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -106.25 159.46 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -83.59 84.43 7.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 87.6 mt -118.28 142.08 30.64 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.961 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.59 176.31 5.15 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.72 -31.38 72.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.61 -30.98 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 99.8 mm-40 -102.88 -8.76 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.21 137.65 56.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -135.94 30.57 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.17 141.04 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -140.84 159.02 43.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -87.47 153.14 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -54.9 -30.43 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 168.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.47 -39.3 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.94 -41.43 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.7 -47.19 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -68.8 -32.23 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -55.52 -50.21 70.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -73.21 -37.46 66.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 tp -64.82 -39.34 93.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.8 -31.65 72.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.15 -30.21 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.877 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 177.521 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -102.62 140.29 37.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -79.1 176.74 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -164.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.3 mp -83.69 91.59 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.8 p -95.15 153.17 39.8 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.683 0.754 . . . . 0.0 111.052 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -58.49 -28.33 85.08 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.529 2.153 . . . . 0.0 112.43 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.9 -49.01 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.39 -27.54 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.88 -39.65 16.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.81 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.709 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -65.25 -25.6 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.75 -59.21 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 55' ' ' ILE . 65.7 pttt -65.45 -26.96 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.75 -44.07 91.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.52 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -76.16 -13.21 60.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.54 32.99 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.538 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 50' ' ' LYS . 88.5 mt -75.15 124.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -171.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.474 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -102.89 158.79 31.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.7 0.762 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.5 Cg_endo -59.99 -17.69 46.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.773 2.315 . . . . 0.0 112.31 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.75 -42.14 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -117.76 20.35 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -65.37 -50.11 66.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -61.95 -28.42 69.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.37 -46.13 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -66.62 -35.87 81.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.03 69.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.2 m -74.25 -40.95 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -83.47 -27.05 29.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.801 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -91.23 4.35 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 t30 53.54 58.14 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 64.84 34.12 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 52.71 38.44 26.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -87.17 93.74 9.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -119.81 132.24 55.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -168.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -113.96 153.34 29.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 172.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -162.26 159.28 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -154.45 85.45 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 171.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.86 15.05 33.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -135.66 -127.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -173.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.531 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.7 m0 -75.39 145.37 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 171.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 98.7 t -93.52 116.65 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 159.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -124.18 158.26 32.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -170.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.1 t -84.18 127.06 40.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -49.61 126.6 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.96 -11.7 45.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.77 37.48 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.944 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -52.98 -23.27 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.83 -42.29 98.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -80.25 -11.9 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -168.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.62 125.85 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.21 18.74 56.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.425 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 163.71 16.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -104.97 105.57 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -116.12 88.1 21.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.76 -16.81 33.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.62 2.213 . . . . 0.0 112.409 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.51 179.62 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.84 -4.99 22.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.55 -10.45 59.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 132.28 22.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -132.73 17.36 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.15 143.21 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.5 m-90 -139.29 161.48 37.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 27.4 t -89.4 149.62 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -57.62 -31.94 66.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 166.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -71.5 -34.3 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -67.58 -43.32 80.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.8 -42.61 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -63.74 -39.43 94.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.55 -34.32 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -67.83 -41.43 83.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.83 -34.49 78.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.52 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.16 -29.18 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 176.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 30.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -91.28 159.17 16.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.745 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -75.51 -179.3 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -165.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 5.8 mp -111.56 81.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.1 p -79.32 154.9 76.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 111.188 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.88 -27.36 80.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.23 -46.74 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.39 -32.6 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.6 -42.81 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 1.7 pp -64.45 -28.52 69.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -66.54 -56.39 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.26 -28.44 69.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -66.36 -51.59 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.32 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.7 tpp -68.21 -28.33 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.23 33.61 22.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.489 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.5 mt -77.89 127.92 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' TYR . 44.8 p -112.05 160.03 31.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.519 0.676 . . . . 0.0 111.194 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -59.26 -14.18 23.2 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.756 2.304 . . . . 0.0 112.418 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.02 -38.67 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -115.99 17.8 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' THR . 90.7 t80 -64.72 -48.55 74.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -62.19 -29.7 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -67.99 -44.47 76.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -72.6 -25.64 61.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.47 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -80.88 -23.58 38.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.809 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -71.34 -46.96 59.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -96.23 11.35 34.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.3 t30 52.01 60.51 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 67.71 35.35 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 51.47 42.93 29.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.753 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 10.1 mmpt? -82.51 52.96 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.829 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 87.4 mt -75.13 139.54 42.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.08 156.41 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 t -166.58 155.41 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.499 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.0 t0 -145.55 91.42 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.69 22.88 66.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.49 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -140.98 -177.12 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -58.95 153.26 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 166.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 99.1 t -86.84 139.17 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -135.11 156.82 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.4 t -81.92 130.61 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -46.68 129.65 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 172.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.72 -19.31 55.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.74 35.41 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.93 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -17.27 51.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 160.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.61 -18.04 50.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 167.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 63.0 m170 -115.11 41.77 2.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -172.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.67 117.32 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.16 18.33 59.42 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 8.4 mptt -107.72 140.22 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -85.07 85.41 7.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.99 152.08 48.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.022 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ALA . 59.8 Cg_endo -71.25 162.09 43.62 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.737 2.291 . . . . 0.0 112.369 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.4 -29.77 66.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.55 -38.63 77.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -101.18 7.85 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -82.16 141.75 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.84 35.74 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.01 142.89 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -141.95 151.35 42.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.988 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.9 p -84.29 151.47 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.844 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -58.74 -30.25 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 170.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.62 -35.62 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -64.63 -48.16 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.6 mt -57.34 -42.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.33 -40.41 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.28 -39.69 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -72.01 -34.6 68.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.88 -32.78 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.76 -34.25 77.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.73 -21.06 64.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 176.067 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 HD23 ' A' ' 73' ' ' LEU . 30.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -99.91 155.54 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 162.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -70.0 169.83 12.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -162.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD11 ' HG ' ' A' ' 73' ' ' LEU . 10.9 mp -112.2 84.94 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.5 p -81.45 155.29 71.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.169 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -61.36 -27.46 82.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -71.33 -39.73 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -68.8 -33.96 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.62 -37.01 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.85 -48.93 69.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 1.7 pp -64.34 -23.96 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.488 ' O ' ' HG2' ' A' ' 53' ' ' MET . 82.9 t80 -68.09 -61.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 174.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -63.47 -25.11 68.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.11 -56.37 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.67 91.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 49' ' ' PHE . 98.0 mmm -76.13 -7.03 53.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.03 44.53 23.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.422 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.71 127.18 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.185 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.1 p -115.99 156.82 46.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.184 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.21 -18.72 61.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.85 -36.19 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -109.29 22.64 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.31 -51.08 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -76.22 -28.63 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.96 -46.23 85.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.836 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -70.3 -41.9 72.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.74 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -69.52 -48.38 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -77.35 -24.62 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.88 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -94.97 4.47 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.1 t30 50.4 62.7 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.1 t30 64.66 36.69 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 55.45 39.65 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HE3' HD22 ' A' ' 41' ' ' LEU . 37.8 tptt -107.35 104.69 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 175.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.66 150.06 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.484 ' HG ' HD11 ' A' ' 41' ' ' LEU . 4.3 mp -124.95 156.8 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.458 ' HB ' HG22 ' A' ' 79' ' ' VAL . 8.8 t -150.01 139.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -175.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 58.7 t0 -144.04 83.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.62 24.61 66.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.02 -173.73 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.852 -176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.74 152.29 19.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 175.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.458 HG22 ' HB ' ' A' ' 74' ' ' THR . 70.4 t -84.07 125.32 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -114.52 152.63 31.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.5 135.23 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.73 132.06 40.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.75 63.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.75 31.1 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.889 0.375 . . . . 0.0 110.995 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -61.25 -19.77 62.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.18 -33.27 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -81.97 -5.13 58.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 125.08 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.37 12.87 62.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -118.88 146.97 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.624 0.249 . . . . 0.0 110.899 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -97.13 98.35 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.46 148.02 35.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.935 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.49 161.34 46.39 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.367 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.5 -30.37 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.77 -30.59 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -120.6 26.2 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.01 137.33 40.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.6 27.16 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 174.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.95 145.7 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -140.02 144.69 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.5 p -75.58 150.99 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -60.49 -30.82 69.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 170.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.44 -40.03 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.16 -45.89 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.04 -42.2 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -65.66 -38.55 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.41 -36.78 78.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -77.15 -34.46 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.81 -34.05 77.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.83 -30.97 71.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.51 -7.93 55.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 178.337 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 33.8 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -93.24 148.53 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.3 pt-20 -75.31 178.1 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -164.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.2 mp -105.67 99.54 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 71.2 p -88.64 158.25 48.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.693 . . . . 0.0 111.188 175.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 38.3 Cg_endo -61.82 -29.24 82.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 174.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -71.73 -41.34 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HA ' HD23 ' A' ' 48' ' ' LEU . 87.4 mt-10 -68.71 -35.81 77.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.71 -39.5 26.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.72 -41.75 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.696 ' C ' HD11 ' A' ' 48' ' ' LEU . 2.5 pp -66.71 -25.16 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -66.22 -59.14 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 176.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.64 -27.77 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.63 -43.82 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.81 76.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.4 mmt -76.08 -21.59 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.883 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.42 64.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.5 mt -65.05 117.83 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 111.086 -169.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.503 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 69.0 p -88.09 160.11 46.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.522 0.677 . . . . 0.0 111.174 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.503 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 45.8 Cg_endo -62.76 -13.11 32.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.38 -39.61 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.2 20.05 15.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -65.02 -49.15 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -63.3 -31.94 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.76 -48.97 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -65.98 -31.52 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -29.86 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.026 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -82.82 -31.0 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -174.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -87.94 -29.17 21.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.8 p -88.15 7.79 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 49.85 65.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 63.86 33.44 12.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 54.94 33.34 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -95.68 98.87 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mp -124.81 146.63 49.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.79 157.3 43.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -172.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.8 t -167.84 155.85 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.454 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.5 t0 -142.53 93.91 2.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 24.63 62.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -145.87 -170.37 3.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -171.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.465 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -64.22 150.71 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 174.356 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.78 136.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -129.68 160.82 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.85 133.78 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.89 131.4 39.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.56 -14.79 62.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.56 40.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.979 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.2 mp0 -56.76 -26.29 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HG3' ' CD2' ' A' ' 87' ' ' HIS . 25.2 pt-20 -65.01 -4.44 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.457 ' CD2' ' HG3' ' A' ' 86' ' ' GLU . 59.5 m170 -116.5 21.68 13.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 89.0 mt -103.78 115.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.33 -14.23 63.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.589 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 10.2 mptt -81.51 -179.83 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -136.06 62.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.51 154.61 48.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.974 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.28 159.61 51.47 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.747 2.298 . . . . 0.0 112.362 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -47.5 -42.08 22.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.99 -37.89 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -104.58 14.8 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.07 137.96 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.25 39.3 3.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.23 139.3 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -137.61 165.76 25.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 167.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.56 -34.34 74.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -67.79 -43.72 79.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.87 -43.95 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -64.96 -39.14 93.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -73.31 -36.13 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.82 -31.37 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.29 -34.13 72.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.66 -26.41 65.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.03 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -88.56 145.81 25.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.71 171.36 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -88.27 97.04 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 172.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -92.61 151.2 40.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -60.57 -27.75 85.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.249 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -69.45 -53.47 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.31 -31.98 73.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.25 -43.24 21.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.82 -42.4 73.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.59 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.0 pp -65.06 -25.27 67.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -69.72 -58.16 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -65.49 -27.11 68.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.64 -51.67 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.019 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.57 -13.49 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.81 39.25 97.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.3 mt -70.91 120.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.199 -171.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.18 158.43 32.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.7 Cg_endo -62.49 -12.99 30.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -83.39 -26.35 30.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -127.78 18.6 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.71 -46.84 83.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -62.08 -27.26 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.67 -44.19 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -72.74 -27.73 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.56 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -72.33 -45.29 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -95.21 16.88 15.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 49.8 59.35 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.978 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.4 t30 64.1 34.83 10.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 51.79 43.94 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.488 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 11.7 mmmm -95.28 73.16 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.1 mt -89.31 131.03 35.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.9 mt -118.77 154.58 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -157.62 154.28 28.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.18 89.56 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.84 63.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -147.59 -168.26 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.468 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 0.5 OUTLIER -57.75 161.31 3.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 169.357 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.85 130.36 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -123.71 154.48 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.14 130.87 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.39 127.88 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.03 -13.6 57.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.638 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -119.36 19.97 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -60.55 -18.39 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.27 -37.77 75.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -80.75 -6.64 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -171.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.16 125.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.62 59.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.444 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 140.02 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -88.59 92.59 9.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.66 132.76 20.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.708 0.766 . . . . 0.0 110.845 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.91 56.1 5.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.452 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 80.4 mt 54.31 29.23 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -87.32 -66.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -112.0 18.41 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.74 129.55 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.85 39.2 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.57 139.52 19.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -132.91 131.82 41.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 87.3 p -65.83 150.13 49.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.71 -41.43 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.02 -44.5 92.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.16 -41.5 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.28 -42.97 96.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.807 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.62 -35.16 78.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.88 -39.65 93.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.07 -29.46 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.25 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.26 -14.22 62.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.864 0.364 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -88.69 165.58 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -89.97 -177.55 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -173.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.0 mm? -100.78 91.86 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 176.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.49 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -96.16 160.09 30.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.142 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.3 Cg_endo -66.82 -32.37 36.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -71.27 -41.12 70.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 75.7 mm-40 -71.1 -37.51 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.7 tt -73.37 -34.29 65.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 88.8 tt0 -59.13 -45.88 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 45' ' ' GLU . 1.3 pp -67.04 -27.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 71.1 t80 -70.13 -53.55 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.5 pttt -68.76 -30.69 69.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -68.54 -43.78 75.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.25 -38.1 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.45 -17.63 64.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 36.92 45.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.99 121.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.107 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.497 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 72.6 p -103.23 159.83 28.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.242 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 51.7 Cg_endo -68.12 -12.58 35.56 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.763 2.309 . . . . 0.0 112.228 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -77.53 -33.97 54.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.49 26.64 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.47 -44.7 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.01 -44.8 94.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -71.2 -30.62 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.59 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -71.73 -23.46 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.5 -38.2 49.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -97.62 14.31 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 49.81 64.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.5 t30 62.78 38.01 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 50.18 37.63 15.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HD2' ' HG ' ' A' ' 41' ' ' LEU . 12.9 mmmm -95.77 95.82 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 174.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.427 HD22 ' CZ ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -128.55 132.3 48.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.518 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.47 142.56 50.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -170.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.514 HG21 HG22 ' A' ' 79' ' ' VAL . 12.2 t -172.47 157.02 3.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -135.89 115.34 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 169.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 22.29 10.66 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.37 -178.4 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.773 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.49 151.48 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG22 HG21 ' A' ' 74' ' ' THR . 86.1 t -91.43 133.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -128.97 166.94 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -93.64 126.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -52.32 137.79 28.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.98 -21.94 43.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.87 31.68 4.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.54 -25.08 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.28 -37.89 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 174.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -67.7 -21.61 65.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.06 136.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.46 63.58 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -127.91 121.54 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.24 100.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.41 158.99 35.68 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 111.007 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 96' ' ' GLN . 23.2 Cg_exo -66.35 179.48 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.399 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.57 -27.11 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.55 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 98.6 mm-40 -119.33 31.98 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.25 119.76 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -104.6 12.39 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.45 150.37 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -145.14 127.74 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -71.57 157.01 38.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -63.73 -33.36 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 174.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.13 -29.26 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -78.37 -42.53 30.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.19 -39.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.148 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 61.6 mtpt -69.45 -35.91 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 111' ' ' GLU . 98.5 m-20 -69.51 -39.14 77.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -65.45 -43.49 90.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 60.6 tp -58.02 -46.76 84.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 175.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 106' ' ' LYS . 61.5 mtpt -61.09 -36.18 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 107' ' ' ASN . 48.3 mt-10 -65.92 -21.73 66.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 109' ' ' LEU . 31.1 tp . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -93.58 150.51 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -78.86 179.95 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 71' ' ' LYS . 6.6 mp -98.57 75.13 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -71.37 151.04 94.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -59.39 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.576 2.184 . . . . 0.0 112.386 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -68.71 -48.98 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -67.37 -30.1 69.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.8 -43.99 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -67.34 -40.96 85.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.62 ' C ' HD11 ' A' ' 48' ' ' LEU . 1.2 pp -68.13 -25.23 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -72.14 -54.11 10.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -64.85 -24.96 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -76.1 -35.27 59.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 109' ' ' LEU . . . -69.95 -34.04 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -92.54 -18.63 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.43 46.0 57.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 94.3 mt -73.09 125.22 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 111.165 -171.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.489 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.5 p -104.41 159.5 29.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.0 Cg_endo -58.51 -20.84 51.36 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 176.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.49 -48.4 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.47 23.05 14.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.03 -48.08 77.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -72.14 -20.49 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -75.12 -37.21 61.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.96 174.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -78.46 -24.96 45.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.4 p -76.94 -25.94 53.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -71.3 -39.91 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -105.16 12.87 31.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.3 t30 52.36 60.06 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 66.6 35.96 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 53.9 43.13 31.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.9 mmmm -99.3 91.92 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 174.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.7 mt -112.33 131.49 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.3 mt -114.95 154.17 29.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.473 ' HB ' HG22 ' A' ' 79' ' ' VAL . 14.8 t -158.31 150.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -176.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -159.19 86.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.77 23.8 69.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -154.7 -173.13 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.663 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -56.58 137.18 54.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 173.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 74' ' ' THR . 62.6 t -74.78 131.17 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 173.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -126.54 153.97 44.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.0 t -77.23 125.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.159 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.86 133.35 55.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.46 -6.38 33.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -129.04 59.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.993 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.29 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.926 166.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -70.05 -11.05 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -107.29 4.02 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.3 mt -88.82 122.28 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 -8.47 65.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.69 156.67 17.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -178.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -103.35 96.53 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.15 145.46 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.979 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 97' ' ' ALA . 60.3 Cg_endo -68.45 154.4 71.9 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.74 -31.06 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -173.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.67 -41.01 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -109.12 14.28 24.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -79.22 135.24 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.97 28.23 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 166.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -158.82 135.63 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -133.74 142.44 47.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 84.5 p -71.99 150.75 43.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.726 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -59.59 -30.37 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.79 -50.07 72.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.53 -43.84 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.82 -48.34 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -70.02 -34.79 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.99 -41.39 99.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -80.05 -32.19 39.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 52' ' ' ALA . 49.4 tp -68.4 -39.33 81.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 -178.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.39 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -76.53 -29.88 56.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 173.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -176.776 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 35.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.779 0.323 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.37 172.11 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.3 pt-20 -88.45 173.79 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -169.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD11 ' HG ' ' A' ' 73' ' ' LEU . 9.0 mp -112.65 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -177.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 63.7 p -88.08 160.5 46.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.682 . . . . 0.0 111.174 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.3 Cg_endo -61.26 -28.61 85.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 174.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.68 -39.24 84.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -70.47 -37.42 74.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.24 -37.0 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 96.7 mt-10 -66.39 -48.42 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.6 pp -65.16 -26.97 68.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.61 -56.32 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.7 pttt -64.68 -28.96 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.35 -56.01 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.831 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.52 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.2 tpp -73.15 -18.97 61.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.4 56.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.545 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.63 131.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.066 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 60.0 p -125.7 158.84 63.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 175.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 43.2 Cg_endo -64.45 -14.27 43.25 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -72.24 -30.54 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -132.64 26.48 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -66.68 -38.23 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -68.18 -41.42 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -60.83 -48.73 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 67' ' ' THR . 69.6 m95 -66.68 -37.04 83.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 177.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.31 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -82.21 -40.83 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -81.77 -24.87 35.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 63' ' ' TRP . 74.2 p -96.51 8.63 43.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.3 t30 50.39 54.69 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.3 t30 64.41 40.07 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 51.94 37.28 20.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -94.97 95.12 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.76 147.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -133.4 149.94 51.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -173.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.466 ' HA ' ' CH2' ' A' ' 80' ' ' TRP . 13.1 t -172.64 161.9 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 175.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.2 t0 -137.94 109.95 7.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 171.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.07 23.48 39.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.441 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 75' ' ' ASP . 95.5 mt-10 -140.33 -176.75 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -174.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.04 153.91 24.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -92.5 126.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.466 ' CH2' ' HA ' ' A' ' 74' ' ' THR . 35.0 p90 -124.08 160.19 28.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.7 t -94.37 123.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.461 ' HB2' HD13 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.56 134.95 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.62 -13.49 62.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -110.61 30.61 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 88' ' ' ILE . 62.2 mt-10 -59.71 -25.91 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.979 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.92 -42.11 85.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -72.35 -23.18 61.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.79 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 85' ' ' GLU . 96.2 mt -69.95 139.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.26 -15.17 63.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -168.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -101.28 150.42 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.947 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -90.36 109.18 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -121.56 153.05 59.19 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 121.543 0.687 . . . . 0.0 111.007 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.01 158.82 56.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.1 tp -53.7 -31.36 47.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -66.21 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.401 ' HA ' HH12 ' A' ' 98' ' ' ARG . 98.3 mm-40 -118.28 25.26 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.25 144.06 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.401 HH12 ' HA ' ' A' ' 96' ' ' GLN . 90.6 mmt-85 -131.44 27.73 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.34 155.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -150.86 159.02 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -96.09 147.44 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.86 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -55.52 -29.65 59.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.0 -27.09 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -82.98 -42.47 17.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.99 -45.55 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.42 -40.2 77.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -54.92 -39.32 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -78.56 -34.46 47.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.32 -35.42 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.36 -35.04 76.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.36 -25.98 64.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 178.268 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.539 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 21.9 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.819 0.343 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -85.4 147.06 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -97.69 179.78 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -163.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -94.44 88.88 5.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.465 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 66.7 p -104.64 157.36 34.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.129 172.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.2 Cg_endo -58.24 -29.53 87.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 0.0 112.408 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.72 -44.9 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.77 -30.28 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 42' ' ' THR . 91.2 mt -75.73 -40.07 56.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -64.66 -45.85 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.83 -33.19 75.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.941 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -68.12 -53.82 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.73 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -72.53 -41.04 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 mmt -82.31 -11.42 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.771 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.45 94.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.53 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.27 133.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.0 p -121.13 155.86 57.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.509 0.671 . . . . 0.0 111.153 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.48 -16.34 53.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -70.89 -49.42 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.44 24.56 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.28 -50.83 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -56.07 -33.37 64.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -69.05 -49.95 52.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.989 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -65.54 -37.82 87.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -77.56 -49.92 13.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.804 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -71.95 -23.7 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.9 p -94.34 6.04 49.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.77 56.25 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t30 65.8 35.69 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 53.36 43.24 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 12.7 mmmm -91.37 92.25 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 173.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 38.6 mt -114.22 140.26 48.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -122.88 149.42 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.404 ' HB ' HG22 ' A' ' 79' ' ' VAL . 11.1 t -167.9 152.66 6.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.539 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 66.8 t0 -154.1 92.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.31 25.08 56.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -155.56 -171.47 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -45.39 152.34 0.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 59.2 t -97.35 132.67 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 167.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -130.35 156.68 44.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -86.32 122.86 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 122.78 15.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.52 -15.9 45.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -113.23 19.57 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -58.08 -21.07 44.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 169.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.03 -48.74 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -77.82 -20.2 53.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 87.8 mt -73.2 138.47 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.27 19.1 36.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.535 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -114.13 161.59 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.02 82.92 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.5 pp -134.82 155.37 79.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.97 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 161.05 47.44 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.79 2.327 . . . . 0.0 112.427 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.51 -23.75 66.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.58 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -118.61 20.64 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.15 141.71 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.33 36.99 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.12 144.69 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -139.28 166.63 24.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -91.42 151.59 20.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -58.66 -32.07 68.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.2 -34.95 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.39 -43.89 80.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.4 -42.38 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 54.3 mtpt -69.37 -40.3 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -62.52 -40.56 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -76.0 -33.58 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.61 -36.08 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 106' ' ' LYS . 95.8 mttt -65.25 -29.61 70.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.26 -12.73 61.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -173.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 34.0 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.05 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -165.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -70.89 -175.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 mp -120.76 78.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.445 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -73.64 158.42 86.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.571 0.7 . . . . 0.0 111.112 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 45.0 Cg_endo -69.28 -28.32 27.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.271 176.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -78.8 -32.17 46.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 70' ' ' PHE . 59.9 tp -74.98 -47.14 30.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 95.3 mt-10 -54.83 -40.47 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -176.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -28.16 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -67.82 -53.28 28.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB2' ' HB ' ' A' ' 55' ' ' ILE . 64.7 pttt -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -57.29 -33.65 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.811 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.89 -47.17 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.2 -15.85 62.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.797 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.56 28.44 65.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.405 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 50' ' ' LYS . 97.0 mt -63.75 133.24 29.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 0.0 111.093 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.588 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 70.4 p -111.95 161.63 24.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 38.8 Cg_endo -65.84 -8.87 20.99 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.662 2.241 . . . . 0.0 112.264 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.22 -31.71 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -119.08 16.5 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.99 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -69.07 -46.87 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.56 -32.87 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -76.46 -32.64 58.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.74 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.3 p -68.88 -15.38 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -86.33 -48.16 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -88.62 13.59 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -172.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 t30 56.31 59.84 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.3 t30 63.74 34.41 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' HB3' HD11 ' A' ' 46' ' ' LEU . 90.7 m-85 50.49 39.63 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 3.0 tppp? -80.2 86.52 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 178.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 11.3 mt -121.77 147.94 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -176.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.34 146.35 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t -171.64 156.07 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 67.9 t0 -144.42 115.3 7.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 161.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.94 21.22 4.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 75' ' ' ASP . 96.7 mt-10 -139.32 -175.71 4.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -174.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.76 149.69 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 83.9 t -92.33 129.85 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.419 ' CH2' HG11 ' A' ' 38' ' ' VAL . 40.7 p90 -129.56 171.76 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 174.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.17 126.49 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.476 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . 42.3 tt0 -57.29 135.82 56.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -178.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.47 -23.87 17.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.413 ' HB3' ' HB2' ' A' ' 87' ' ' HIS . 20.3 m-30 -98.38 33.81 2.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -172.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 88' ' ' ILE . 98.3 mt-10 -62.9 -25.37 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -71.16 -14.62 62.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.471 ' HA ' ' HD2' ' A' ' 90' ' ' LYS . 62.0 m170 -99.83 20.68 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 85' ' ' GLU . 97.2 mt -106.02 143.05 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.23 19.08 79.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.472 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 62.2 mtpt -78.42 176.53 9.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 176.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -110.89 51.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 pp -107.96 158.86 32.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.32 175.17 9.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.05 -21.69 63.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.2 -30.75 50.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -124.88 30.28 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.47 124.66 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -108.91 45.63 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.54 156.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -149.35 163.58 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -101.4 147.48 26.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -55.32 -30.11 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 172.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.94 -26.8 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -80.39 -41.04 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.0 -52.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.19 -48.72 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.74 -41.93 98.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -62.19 -42.86 99.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 112' ' ' LEU . 90.1 mt -59.3 -43.75 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 174.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.75 -35.15 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.73 -25.33 68.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 109' ' ' LEU . 95.6 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 35.0 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.767 0.317 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -87.14 154.43 20.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.15 173.78 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -161.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD13 HD11 ' A' ' 46' ' ' LEU . 3.1 mm? -76.54 74.72 3.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.2 p -84.76 155.41 61.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 111.128 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -62.75 -27.9 75.91 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.787 2.325 . . . . 0.0 112.367 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -69.96 -46.2 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.03 -30.89 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.409 HD11 HD13 ' A' ' 41' ' ' LEU . 6.1 mp -79.44 -35.81 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -70.26 -47.91 59.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.61 ' C ' HD11 ' A' ' 48' ' ' LEU . 1.3 pp -60.69 -28.78 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -65.34 -59.49 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.19 -29.12 69.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -63.46 -52.65 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.954 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.56 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 tpp -67.44 -30.73 70.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.86 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.97 35.95 11.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.38 115.32 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.97 0.414 . . . . 0.0 111.063 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.47 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 48.5 p -90.44 158.44 43.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.1 Cg_endo -62.8 -18.28 63.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.74 -44.94 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -115.68 19.93 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -62.2 -43.46 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -62.71 -35.46 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -68.04 -43.08 79.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -71.6 -29.25 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.4 p -73.91 -21.93 59.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -70.39 -40.63 73.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.421 ' HB ' HD12 ' A' ' 72' ' ' LEU . 76.9 p -105.25 9.63 33.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -166.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.5 t30 54.58 56.77 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.4 t30 63.3 36.62 11.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 53.17 47.48 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 16.1 tppt? -95.37 73.16 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD22 HG12 ' A' ' 79' ' ' VAL . 3.5 mp -126.93 144.45 51.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.42 155.32 47.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -175.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 t -168.56 156.05 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -176.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.1 t0 -150.23 96.97 2.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 163.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.15 25.98 70.04 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.402 -174.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 94.8 mt-10 -139.46 -176.72 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.437 ' HD1' ' HB3' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -58.51 151.27 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 170.088 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.485 HG12 HD22 ' A' ' 72' ' ' LEU . 52.9 t -104.66 120.3 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 175.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -131.67 153.68 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.63 124.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.5 127.51 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.42 -16.47 61.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 170.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -102.02 24.48 9.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.08 -26.85 63.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 165.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -65.95 -16.48 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -106.43 10.58 31.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -120.71 147.3 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.74 5.72 77.6 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -169.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -92.95 165.51 12.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.683 0.278 . . . . 0.0 110.868 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 11.4 pm0 -80.1 57.78 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.48 142.84 25.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.8 176.25 3.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.635 2.223 . . . . 0.0 112.377 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.5 -23.61 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.41 -45.47 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -80.5 -21.86 41.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.68 135.23 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -106.33 28.15 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 172.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.34 143.78 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' VAL . 19.8 m-90 -142.14 169.07 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -93.3 153.68 18.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -56.77 -33.98 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.92 163.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.65 -38.78 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.28 -45.03 93.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.67 -44.36 85.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.49 -48.92 78.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -74.7 -29.99 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.24 -45.38 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.7 -35.79 75.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.0 -26.38 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -97.35 134.33 40.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 165.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -84.08 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -160.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.528 HD12 HD21 ' A' ' 46' ' ' LEU . 2.9 mm? -73.27 76.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 176.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.2 p -86.05 149.77 51.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.079 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.76 -27.73 81.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -70.45 -53.13 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.11 -34.31 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.528 HD21 HD12 ' A' ' 41' ' ' LEU . 87.4 mt -80.88 -41.23 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -173.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.23 -42.84 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -65.35 -27.25 68.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -67.8 -57.93 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.94 -27.24 68.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.19 -53.71 40.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.26 -37.17 80.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.6 tpp -70.1 -28.97 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.46 21.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.565 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.1 mt -75.56 117.42 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.4 p -93.66 158.91 35.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.637 0.732 . . . . 0.0 111.152 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -62.46 -13.64 34.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -80.64 -34.32 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -118.46 18.72 13.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.79 -48.45 74.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -63.01 -27.7 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.43 -40.85 73.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -73.99 -22.91 59.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.55 95.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 172.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.8 p -73.67 -25.37 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -69.1 -42.79 75.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.1 p -106.22 15.02 26.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -168.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.6 t30 54.75 60.28 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 65.17 34.55 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 50.45 43.44 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.32 66.59 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 75.8 mt -87.64 129.4 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.2 mt -123.33 155.87 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -159.48 150.29 19.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -146.75 89.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.814 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.54 21.35 62.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.409 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.79 -177.43 5.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.48 143.42 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 169.363 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 96.6 t -76.55 129.43 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -121.27 156.72 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -83.44 124.99 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -43.08 134.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.97 57.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.13 40.12 2.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.2 pm0 -59.93 -18.8 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.64 -34.72 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -85.39 -13.14 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -170.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.4 121.77 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -4.3 67.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.494 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.34 109.89 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.815 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -98.49 107.01 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.97 156.53 37.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.62 63.66 7.34 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.4 mt 57.7 28.65 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.82 -58.27 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.828 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -124.27 26.37 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.49 118.68 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -134.98 37.2 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.56 150.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -174.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -138.75 139.92 38.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.469 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 94.4 p -76.65 150.84 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -171.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -60.54 -30.44 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.56 -39.08 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.81 -45.23 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 98.1 mt -59.64 -43.89 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -65.09 -37.35 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.77 -40.83 96.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -72.8 -34.67 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.38 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -67.63 -34.24 76.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.86 -30.52 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 173.677 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -95.77 160.89 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.6 pt-20 -81.56 173.36 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -164.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD11 HD23 ' A' ' 73' ' ' LEU . 9.2 mp -108.63 104.56 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 175.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 69.2 p -91.87 157.92 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.4 Cg_endo -61.75 -28.99 82.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 174.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.42 -42.49 71.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 174.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HA ' HD21 ' A' ' 48' ' ' LEU . 90.3 mt-10 -66.53 -38.35 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.09 -38.78 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.16 -46.74 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.1 pp -65.65 -24.16 66.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.67 -57.58 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.5 -30.6 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.03 -49.18 71.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.82 73.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.4 tpp -65.54 -27.44 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.26 31.12 39.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -72.33 120.96 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 111.096 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.7 159.39 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 111.2 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 31.2 Cg_endo -60.83 -17.42 50.4 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -69.34 -48.22 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -111.15 22.97 14.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.96 -45.23 74.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -67.96 -27.53 66.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.43 -47.62 59.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.956 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -64.94 -33.09 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.03 90.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -75.91 -37.16 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -101.56 17.12 23.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -168.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 51.16 60.15 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 65.06 35.44 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.26 29.37 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -92.95 104.52 16.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 3.5 mp -131.49 145.05 51.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 41' ' ' LEU . 41.2 mt -120.07 156.22 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 79' ' ' VAL . 10.6 t -167.77 154.26 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 175.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.59 97.78 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.2 23.42 64.14 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.04 -177.06 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -172.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.454 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -61.1 150.62 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 168.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 89.7 t -85.01 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.6 p90 -127.56 158.52 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.77 131.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.25 128.48 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.37 -18.15 58.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.427 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -112.57 17.09 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -58.81 -15.5 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 167.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -35.5 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 168.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -74.95 -13.86 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.6 mt -56.21 125.3 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.198 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.06 12.1 66.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.503 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.43 110.39 16.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.904 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.31 103.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.3 mt -122.69 154.38 63.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.678 0.751 . . . . 0.0 110.917 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 166.39 22.95 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.562 2.175 . . . . 0.0 112.373 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.78 -25.32 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -72.37 -42.01 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.96 16.63 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.43 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -133.54 35.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.76 141.65 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.8 m-90 -142.88 146.95 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.872 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -79.05 147.77 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.27 -30.26 66.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 167.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -70.5 -33.37 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 174.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.87 -46.58 77.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.85 -41.61 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.04 -44.75 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.66 -36.04 81.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.819 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -67.91 -37.82 82.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 112' ' ' LEU . 96.1 mt -68.4 -33.12 73.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.02 -30.07 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -70.46 -29.23 65.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 109' ' ' LEU . 94.9 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.805 0.336 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 -98.63 152.53 19.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -71.96 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -166.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.08 81.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.5 p -82.68 151.52 64.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.503 0.668 . . . . 0.0 111.14 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.11 -27.81 84.73 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -70.12 -42.47 72.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HA ' HD22 ' A' ' 48' ' ' LEU . 95.2 mt-10 -70.76 -30.0 66.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.17 -34.9 56.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -70.03 -46.2 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 45' ' ' GLU . 1.2 pp -63.72 -26.22 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -177.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.51 -58.64 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.49 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -64.51 -47.46 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.26 94.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -70.18 -21.65 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.7 55.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.08 127.99 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 111.078 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.5 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.3 p -103.27 158.35 31.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.598 0.713 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 35.0 Cg_endo -60.9 -14.27 31.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.408 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.25 -37.07 38.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -119.09 19.88 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.22 -46.62 76.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -63.85 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.81 -47.41 75.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.808 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -66.64 -39.23 88.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.32 71.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -79.1 -27.6 42.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -88.98 -30.76 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.46 ' HA ' HG21 ' A' ' 81' ' ' VAL . 72.0 p -90.32 -0.45 57.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.1 t30 57.74 59.64 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.2 t30 63.77 34.04 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 51.4 44.61 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 12.8 tptm -72.24 70.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 170.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 56.0 mt -97.22 137.47 36.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.983 -173.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.12 155.87 48.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.465 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 13.3 t -160.53 152.75 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -146.72 85.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.777 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 21.73 64.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.42 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -142.18 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -175.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.439 ' N ' ' HD1' ' A' ' 78' ' ' TRP . 8.5 m0 -68.27 149.81 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 173.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 98.0 t -87.33 123.94 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 159.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.465 ' CZ3' ' HA ' ' A' ' 74' ' ' THR . 25.1 p90 -132.46 158.22 42.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -174.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.46 HG21 ' HA ' ' A' ' 67' ' ' THR . 87.6 t -82.97 127.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 172.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -42.34 127.26 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.14 46.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.486 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -116.45 37.6 3.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -61.08 -20.89 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 171.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -72.98 -4.01 29.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -107.79 12.52 27.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.925 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 80' ' ' TRP . 87.7 mt -89.33 120.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.83 -14.93 64.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.98 172.31 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -117.42 105.65 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 96.9 mt -115.46 93.23 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 110.929 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 57.9 Cg_endo -65.66 -19.49 59.81 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.29 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.56 169.43 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -73.4 -4.86 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.31 -15.81 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.967 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.89 133.4 42.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.166 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -131.66 33.69 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.2 140.15 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -141.39 151.69 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.1 p -78.04 152.4 33.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -58.55 -33.7 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 170.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.69 -38.27 86.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -64.47 -45.75 86.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.02 -42.5 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.17 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -72.13 -37.74 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.61 -33.62 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.7 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.01 -20.95 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.498 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.3 pp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -175.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG21 HD22 ' A' ' 73' ' ' LEU . 7.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.2 mmm-85 -93.22 142.87 26.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -75.41 179.45 5.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -163.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 73' ' ' LEU . 5.4 mp -110.45 82.93 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 70.7 p -74.18 157.41 86.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.8 Cg_endo -62.91 -22.41 73.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 173.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -78.78 -43.48 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.16 -37.01 77.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.07 -40.73 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.88 -41.11 68.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.597 ' C ' HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -67.15 -23.69 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.07 -58.75 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -65.34 -26.42 68.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.95 -47.69 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.819 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.18 90.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 mmt -82.28 -13.37 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.3 38.36 91.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.498 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.4 124.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 111.095 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.1 p -100.68 158.08 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.4 Cg_endo -60.16 -19.34 56.37 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.627 2.218 . . . . 0.0 112.327 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -69.33 -46.98 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.41 20.73 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -64.61 -51.25 63.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.852 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -64.51 -27.46 68.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.02 -43.16 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -68.78 -37.87 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.39 68.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -67.06 -47.31 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -80.31 -25.98 39.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.991 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -91.41 4.84 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.4 t30 53.63 58.22 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 65.12 35.17 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 50.22 39.69 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -89.25 71.66 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.9 135.89 33.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.492 HD23 HD11 ' A' ' 41' ' ' LEU . 65.1 mt -119.7 151.54 38.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -155.99 145.28 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -152.94 84.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 17.93 60.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -139.76 -178.95 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -176.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.49 143.52 53.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 172.366 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' TRP . 88.8 t -69.14 133.51 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.238 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -126.6 157.0 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.72 125.47 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.81 129.99 35.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.25 -12.86 55.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.7 38.06 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -62.32 -19.36 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -72.0 -7.87 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -107.87 10.13 28.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -80.96 126.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.64 8.13 77.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.555 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -98.75 149.76 22.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.685 0.278 . . . . 0.0 110.889 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -100.17 91.35 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -112.83 146.34 34.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -57.55 149.94 63.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.9 -32.51 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -74.8 -29.86 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -111.44 13.33 21.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.97 129.28 43.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -95.19 36.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 168.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.62 144.72 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.3 m-90 -136.44 146.28 46.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 16.6 t -70.87 145.47 50.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -61.38 -30.41 70.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -36.38 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.74 -44.47 93.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.11 -45.11 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.68 -38.82 92.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.84 -39.34 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -67.51 -39.3 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.9 -33.19 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.03 -30.63 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.33 -34.21 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 174.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 177.51 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.768 0.318 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -82.62 149.97 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -88.06 177.4 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -164.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mp -103.01 97.31 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -174.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 p -107.91 155.37 40.08 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.181 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -60.14 -29.12 88.42 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.99 -45.04 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -76.08 -29.24 57.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -75.27 -35.12 61.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.19 -53.04 34.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -56.21 -24.83 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -175.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -69.98 -58.95 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -68.82 -30.66 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.42 -47.8 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.0 tpp -69.56 -24.75 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.82 36.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.589 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.44 125.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -97.28 158.78 32.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 111.154 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -61.83 -17.87 57.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.751 2.301 . . . . 0.0 112.432 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.76 -46.91 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -113.57 23.14 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -65.96 -43.11 88.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -66.4 -33.23 75.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -66.54 -41.1 89.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -74.23 -36.06 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.88 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.1 p -71.3 -30.55 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -89.75 -30.78 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -88.05 10.21 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 t30 49.45 54.68 10.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 66.49 35.79 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 51.46 35.47 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -84.58 96.9 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 172.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 mt -117.81 132.18 56.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -166.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.1 mt -114.74 153.56 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -168.08 155.54 8.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -153.71 96.3 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.46 20.52 23.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -140.46 -178.09 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -57.85 152.31 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 172.644 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.28 135.25 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -128.34 159.64 34.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -87.92 127.09 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.09 127.56 29.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.13 -18.71 55.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -111.18 20.13 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.92 -21.51 63.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.876 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -92.79 1.28 57.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -114.53 5.58 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.9 pt -111.06 157.81 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 -177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.61 10.52 85.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 -172.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -104.18 166.78 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 12.2 pm0 -83.51 57.6 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.96 153.91 37.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.02 -178.3 2.0 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.776 2.318 . . . . 0.0 112.251 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -76.47 -19.26 58.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.58 -35.99 45.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -99.42 14.85 28.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.07 142.14 38.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.12 23.36 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.95 147.18 9.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -144.61 155.53 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -91.35 148.02 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -174.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -57.16 -27.64 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.85 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -81.41 -42.96 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.8 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.03 -44.81 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.27 -39.5 78.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -58.97 -46.95 86.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 111' ' ' GLU . 42.8 mmt180 -76.0 -35.67 59.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 112' ' ' LEU . 50.9 tp -58.3 -43.43 88.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.13 -28.41 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' ARG . 99.8 mt-10 -57.31 -30.15 64.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 109' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG21 ' HB3' ' A' ' 73' ' ' LEU . 33.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.907 0.384 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -89.93 143.47 26.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -100.57 170.4 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -160.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 ' H ' ' A' ' 72' ' ' LEU . 1.8 mm? -76.82 79.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 60.2 p -79.21 158.56 74.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 111.186 167.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.4 Cg_endo -61.69 -25.9 79.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.296 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.52 -43.27 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -76.49 -28.93 56.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.45 -53.22 7.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.24 -37.43 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -171.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -66.47 -26.3 67.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -176.323 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -69.07 -57.27 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -64.12 -27.53 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -66.05 -46.23 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 174.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.41 67.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 tpp -67.78 -24.97 65.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.4 38.69 17.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.445 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.09 132.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.15 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 69.0 p -123.43 156.02 64.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.64 0.733 . . . . 0.0 111.185 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 52.5 Cg_endo -66.85 -15.13 46.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.02 -48.35 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.15 26.26 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.52 -46.38 86.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -65.55 -33.14 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.88 -48.07 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.031 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.3 -38.46 90.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.61 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -81.27 -32.88 33.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -89.48 -29.21 19.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.958 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 p -90.34 11.98 19.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 50.4 63.35 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.867 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.3 t30 59.78 36.15 22.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 54.06 37.3 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -95.62 91.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' H ' HD11 ' A' ' 41' ' ' LEU . 32.1 mt -108.23 137.57 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' HB ' ' A' ' 74' ' ' THR . 70.3 mt -128.02 151.38 49.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 73' ' ' LEU . 15.1 t 179.55 166.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 167.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -145.87 105.92 4.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.78 20.88 62.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.28 -178.12 5.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 -175.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -59.87 148.4 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 169.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' TRP . 91.5 t -79.24 137.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.064 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -131.13 160.77 33.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.62 131.13 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.4 134.08 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -1.54 86.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -123.09 31.47 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -58.6 -21.69 54.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 165.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.39 -30.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -94.85 38.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -106.59 128.18 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.14 26.32 58.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.434 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.26 169.43 10.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 178.297 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -101.67 35.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.453 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 70.5 mt -100.09 153.5 37.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.873 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.5 171.94 14.31 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.297 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.97 -30.11 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.03 -41.4 82.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -96.85 18.62 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.86 52.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -93.98 47.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 170.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.99 137.69 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' VAL . 4.3 m-90 -133.67 161.32 34.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.92 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 94.0 p -91.59 152.24 20.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -59.28 -32.78 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.37 -36.08 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.987 0.422 . . . . 0.0 110.924 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.98 -44.44 89.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.42 -39.62 83.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -65.33 -37.85 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -70.8 -37.9 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.36 -35.81 82.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.85 -32.53 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.9 -20.67 62.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.973 177.006 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 70.0 m -145.53 80.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 165.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -61.61 -13.35 21.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -165.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 96.9 mt-10 -136.6 67.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 168.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 82.8 tttt 159.06 59.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 30' ' ' SER . 87.7 tt0 -165.71 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 96.5 mt-10 -130.04 139.65 50.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -120.96 42.22 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 169.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.97 155.39 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -158.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.18 -176.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -75.49 138.12 41.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -83.01 -179.4 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -164.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' A' ' 71' ' ' LYS . 34.9 mt -123.0 74.7 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -168.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.445 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 71.1 p -90.85 155.37 45.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.107 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.53 -17.11 58.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -86.29 -46.02 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.01 -38.65 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.1 mt -66.93 -23.94 66.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -171.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 94.6 mt-10 -60.91 -30.66 70.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -176.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.516 ' C ' HD11 ' A' ' 48' ' ' LEU . 2.2 pp -63.57 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -177.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.31 -59.22 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 63.5 pttt -64.28 -26.0 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -63.21 -48.44 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.8 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.3 mmt -76.2 -16.26 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.57 36.09 75.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.2 mt -71.34 129.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.108 -171.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 36.7 p -98.06 159.93 29.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.7 Cg_endo -60.03 -18.81 52.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.365 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.3 -50.62 30.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -105.8 21.09 17.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -63.57 -54.29 38.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -63.22 -30.37 71.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.91 -45.48 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -71.08 -37.97 72.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.71 -27.65 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -75.35 -54.69 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -63.98 -26.62 68.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -96.63 2.62 52.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.6 t30 54.13 60.94 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 t30 66.49 35.75 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.422 ' O ' HD22 ' A' ' 46' ' ' LEU . 81.7 m-85 52.6 35.33 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 41' ' ' LEU . 67.1 mmtt -98.18 98.46 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mp -128.66 129.23 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.0 mt -97.03 150.13 21.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -170.53 170.92 6.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -151.86 81.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.12 26.7 67.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -147.78 -169.57 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -172.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 80' ' ' TRP . 32.7 p-90 -51.78 140.73 18.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -101.89 144.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 78' ' ' TRP . 45.6 p90 -135.41 156.0 49.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.84 132.22 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.56 125.69 22.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.36 -11.67 65.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.25 7.03 15.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' HA ' HG12 ' A' ' 88' ' ' ILE . 22.2 pm0 -63.33 -14.87 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 169.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -81.11 -14.05 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 171.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -108.03 27.77 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 85' ' ' GLU . 51.1 mm -99.08 140.07 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.11 13.27 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -106.25 159.46 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -83.59 84.43 7.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 87.6 mt -118.28 142.08 30.64 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.961 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.59 176.31 5.15 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.72 -31.38 72.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.61 -30.98 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 99.8 mm-40 -102.88 -8.76 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.21 137.65 56.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -135.94 30.57 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.17 141.04 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -140.84 159.02 43.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -87.47 153.14 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -54.9 -30.43 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 168.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.47 -39.3 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.94 -41.43 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.7 -47.19 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -68.8 -32.23 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -55.52 -50.21 70.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -73.21 -37.46 66.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 tp -64.82 -39.34 93.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.8 -31.65 72.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.15 -30.21 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.877 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.4 mt -73.76 -30.82 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -73.04 130.11 39.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -177.835 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.577 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 95.3 p -83.05 -94.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.818 -149.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' ' 30' ' ' SER . 69.5 mm-40 52.33 -108.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -152.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' A' ' 30' ' ' SER . 20.4 tp10 87.53 143.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 138.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.694 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 43.8 tptt -150.8 60.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 164.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.694 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 85.1 tt0 141.99 47.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 154.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 18.2 tp10 -174.8 130.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 168.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.56 27.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -163.75 134.93 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.5 -178.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 162.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -102.62 140.29 37.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -79.1 176.74 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -164.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.3 mp -83.69 91.59 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.8 p -95.15 153.17 39.8 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.683 0.754 . . . . 0.0 111.052 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -58.49 -28.33 85.08 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.529 2.153 . . . . 0.0 112.43 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.9 -49.01 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.39 -27.54 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.88 -39.65 16.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.81 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.709 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -65.25 -25.6 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.75 -59.21 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 55' ' ' ILE . 65.7 pttt -65.45 -26.96 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.75 -44.07 91.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.52 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -76.16 -13.21 60.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.54 32.99 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.538 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 50' ' ' LYS . 88.5 mt -75.15 124.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -171.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.474 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -102.89 158.79 31.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.7 0.762 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.5 Cg_endo -59.99 -17.69 46.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.773 2.315 . . . . 0.0 112.31 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.75 -42.14 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -117.76 20.35 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -65.37 -50.11 66.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -61.95 -28.42 69.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.37 -46.13 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -66.62 -35.87 81.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.03 69.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.2 m -74.25 -40.95 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -83.47 -27.05 29.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.801 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -91.23 4.35 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 t30 53.54 58.14 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 64.84 34.12 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 52.71 38.44 26.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -87.17 93.74 9.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -119.81 132.24 55.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -168.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -113.96 153.34 29.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 172.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -162.26 159.28 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -154.45 85.45 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 171.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.86 15.05 33.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -135.66 -127.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -173.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.531 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.7 m0 -75.39 145.37 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 171.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 98.7 t -93.52 116.65 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 159.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -124.18 158.26 32.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -170.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.1 t -84.18 127.06 40.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -49.61 126.6 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.96 -11.7 45.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.77 37.48 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.944 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -52.98 -23.27 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.83 -42.29 98.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -80.25 -11.9 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -168.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.62 125.85 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.21 18.74 56.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.425 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 163.71 16.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -104.97 105.57 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -116.12 88.1 21.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.76 -16.81 33.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.62 2.213 . . . . 0.0 112.409 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.51 179.62 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.84 -4.99 22.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.55 -10.45 59.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 132.28 22.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -132.73 17.36 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.15 143.21 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.5 m-90 -139.29 161.48 37.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 27.4 t -89.4 149.62 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -57.62 -31.94 66.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 166.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -71.5 -34.3 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -67.58 -43.32 80.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.8 -42.61 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -63.74 -39.43 94.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.55 -34.32 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -67.83 -41.43 83.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.83 -34.49 78.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.52 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.16 -29.18 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.42 -39.05 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -94.96 92.33 6.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.675 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -70.01 106.93 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.832 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -164.7 -88.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -67.3 132.72 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -155.77 124.59 6.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -158.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -128.26 145.18 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -137.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.95 104.1 14.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 165.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.45 60.09 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -162.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.796 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -74.38 80.79 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 175.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 30.3 m -158.17 178.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 -165.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -91.28 159.17 16.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.745 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -75.51 -179.3 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -165.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 5.8 mp -111.56 81.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.1 p -79.32 154.9 76.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 111.188 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.88 -27.36 80.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.23 -46.74 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.39 -32.6 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.6 -42.81 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 1.7 pp -64.45 -28.52 69.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -66.54 -56.39 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.26 -28.44 69.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -66.36 -51.59 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.32 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.7 tpp -68.21 -28.33 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.23 33.61 22.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.489 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.5 mt -77.89 127.92 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' TYR . 44.8 p -112.05 160.03 31.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.519 0.676 . . . . 0.0 111.194 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -59.26 -14.18 23.2 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.756 2.304 . . . . 0.0 112.418 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.02 -38.67 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -115.99 17.8 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' THR . 90.7 t80 -64.72 -48.55 74.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -62.19 -29.7 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -67.99 -44.47 76.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -72.6 -25.64 61.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.47 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -80.88 -23.58 38.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.809 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -71.34 -46.96 59.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -96.23 11.35 34.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.3 t30 52.01 60.51 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 67.71 35.35 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 51.47 42.93 29.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.753 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 10.1 mmpt? -82.51 52.96 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.829 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 87.4 mt -75.13 139.54 42.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.08 156.41 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 t -166.58 155.41 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.499 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.0 t0 -145.55 91.42 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.69 22.88 66.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.49 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -140.98 -177.12 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -58.95 153.26 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 166.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 99.1 t -86.84 139.17 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -135.11 156.82 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.4 t -81.92 130.61 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -46.68 129.65 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 172.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.72 -19.31 55.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.74 35.41 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.93 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -17.27 51.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 160.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.61 -18.04 50.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 167.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 63.0 m170 -115.11 41.77 2.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -172.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.67 117.32 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.16 18.33 59.42 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 8.4 mptt -107.72 140.22 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -85.07 85.41 7.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.99 152.08 48.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.022 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ALA . 59.8 Cg_endo -71.25 162.09 43.62 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.737 2.291 . . . . 0.0 112.369 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.4 -29.77 66.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.55 -38.63 77.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -101.18 7.85 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -82.16 141.75 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.84 35.74 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.01 142.89 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -141.95 151.35 42.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.988 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.9 p -84.29 151.47 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.844 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -58.74 -30.25 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 170.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.62 -35.62 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -64.63 -48.16 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.6 mt -57.34 -42.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.33 -40.41 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.28 -39.69 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -72.01 -34.6 68.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.88 -32.78 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.76 -34.25 77.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.73 -21.06 64.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.66 -3.56 56.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.1 36.09 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -178.186 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.0 t 177.83 103.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -164.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -162.23 149.78 14.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.888 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 63.0 mt-10 -93.22 -169.94 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 170.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.84 -68.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.47 -58.67 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -121.92 118.92 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' GLU . 54.4 pttt -117.65 28.85 8.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -168.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HG3' HG22 ' A' ' 38' ' ' VAL . 22.2 ptmt -121.73 -27.49 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -176.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 HD23 ' A' ' 73' ' ' LEU . 30.2 m -154.54 177.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -99.91 155.54 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 162.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -70.0 169.83 12.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -162.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD11 ' HG ' ' A' ' 73' ' ' LEU . 10.9 mp -112.2 84.94 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.5 p -81.45 155.29 71.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.169 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -61.36 -27.46 82.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -71.33 -39.73 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -68.8 -33.96 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.62 -37.01 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.85 -48.93 69.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 1.7 pp -64.34 -23.96 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.488 ' O ' ' HG2' ' A' ' 53' ' ' MET . 82.9 t80 -68.09 -61.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 174.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -63.47 -25.11 68.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.11 -56.37 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.67 91.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 49' ' ' PHE . 98.0 mmm -76.13 -7.03 53.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.03 44.53 23.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.422 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.71 127.18 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.185 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.1 p -115.99 156.82 46.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.184 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.21 -18.72 61.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.85 -36.19 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -109.29 22.64 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.31 -51.08 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -76.22 -28.63 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.96 -46.23 85.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.836 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -70.3 -41.9 72.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.74 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -69.52 -48.38 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -77.35 -24.62 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.88 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -94.97 4.47 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.1 t30 50.4 62.7 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.1 t30 64.66 36.69 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 55.45 39.65 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HE3' HD22 ' A' ' 41' ' ' LEU . 37.8 tptt -107.35 104.69 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 175.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.66 150.06 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.484 ' HG ' HD11 ' A' ' 41' ' ' LEU . 4.3 mp -124.95 156.8 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.458 ' HB ' HG22 ' A' ' 79' ' ' VAL . 8.8 t -150.01 139.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -175.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 58.7 t0 -144.04 83.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.62 24.61 66.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.02 -173.73 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.852 -176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.74 152.29 19.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 175.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.458 HG22 ' HB ' ' A' ' 74' ' ' THR . 70.4 t -84.07 125.32 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -114.52 152.63 31.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.5 135.23 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.73 132.06 40.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.75 63.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.75 31.1 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.889 0.375 . . . . 0.0 110.995 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -61.25 -19.77 62.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.18 -33.27 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -81.97 -5.13 58.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 125.08 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.37 12.87 62.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -118.88 146.97 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.624 0.249 . . . . 0.0 110.899 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -97.13 98.35 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.46 148.02 35.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.935 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.49 161.34 46.39 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.367 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.5 -30.37 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.77 -30.59 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -120.6 26.2 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.01 137.33 40.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.6 27.16 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 174.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.95 145.7 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -140.02 144.69 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.5 p -75.58 150.99 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -60.49 -30.82 69.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 170.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.44 -40.03 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.16 -45.89 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.04 -42.2 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -65.66 -38.55 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.41 -36.78 78.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -77.15 -34.46 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.81 -34.05 77.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.83 -30.97 71.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.51 -7.93 55.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -107.61 19.09 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -80.77 70.21 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -153.54 -46.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.49 -11.25 14.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 164.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.512 ' O ' ' HA2' ' A' ' 29' ' ' GLY . 72.7 mm-40 -128.58 -178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 176.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -108.52 97.06 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 151.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -153.28 -178.98 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -167.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -108.78 141.89 40.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.18 33.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -75.54 126.09 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -175.32 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 33.8 m -134.0 176.39 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -171.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -93.24 148.53 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.3 pt-20 -75.31 178.1 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -164.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.2 mp -105.67 99.54 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 71.2 p -88.64 158.25 48.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.693 . . . . 0.0 111.188 175.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 38.3 Cg_endo -61.82 -29.24 82.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 174.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -71.73 -41.34 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HA ' HD23 ' A' ' 48' ' ' LEU . 87.4 mt-10 -68.71 -35.81 77.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.71 -39.5 26.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.72 -41.75 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.696 ' C ' HD11 ' A' ' 48' ' ' LEU . 2.5 pp -66.71 -25.16 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -66.22 -59.14 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 176.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.64 -27.77 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.63 -43.82 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.81 76.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.4 mmt -76.08 -21.59 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.883 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.42 64.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.5 mt -65.05 117.83 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 111.086 -169.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.503 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 69.0 p -88.09 160.11 46.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.522 0.677 . . . . 0.0 111.174 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.503 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 45.8 Cg_endo -62.76 -13.11 32.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.38 -39.61 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.2 20.05 15.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -65.02 -49.15 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -63.3 -31.94 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.76 -48.97 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -65.98 -31.52 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -29.86 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.026 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -82.82 -31.0 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -174.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -87.94 -29.17 21.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.8 p -88.15 7.79 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 49.85 65.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 63.86 33.44 12.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 54.94 33.34 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -95.68 98.87 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mp -124.81 146.63 49.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.79 157.3 43.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -172.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.8 t -167.84 155.85 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.5 t0 -142.53 93.91 2.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 24.63 62.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -145.87 -170.37 3.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -171.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.465 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -64.22 150.71 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 174.356 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.78 136.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -129.68 160.82 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.85 133.78 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.89 131.4 39.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.56 -14.79 62.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.56 40.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.979 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.2 mp0 -56.76 -26.29 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HG3' ' CD2' ' A' ' 87' ' ' HIS . 25.2 pt-20 -65.01 -4.44 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.457 ' CD2' ' HG3' ' A' ' 86' ' ' GLU . 59.5 m170 -116.5 21.68 13.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 89.0 mt -103.78 115.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.33 -14.23 63.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.589 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 10.2 mptt -81.51 -179.83 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -136.06 62.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.51 154.61 48.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.974 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.28 159.61 51.47 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.747 2.298 . . . . 0.0 112.362 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -47.5 -42.08 22.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.99 -37.89 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -104.58 14.8 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.07 137.96 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.25 39.3 3.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.23 139.3 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -137.61 165.76 25.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 167.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.56 -34.34 74.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -67.79 -43.72 79.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.87 -43.95 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -64.96 -39.14 93.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -73.31 -36.13 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.82 -31.37 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.29 -34.13 72.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.66 -26.41 65.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 pp -109.16 1.45 20.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -66.32 -31.48 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 p -136.79 84.45 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -136.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -76.98 48.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 167.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -169.07 130.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -77.93 -69.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -162.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.92 166.92 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.91 8.55 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 63.69 28.23 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -139.97 5.22 2.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.956 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 m -158.99 172.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -162.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -88.56 145.81 25.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.71 171.36 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -88.27 97.04 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 172.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -92.61 151.2 40.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -60.57 -27.75 85.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.249 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -69.45 -53.47 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.31 -31.98 73.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.25 -43.24 21.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.82 -42.4 73.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.59 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.0 pp -65.06 -25.27 67.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -69.72 -58.16 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -65.49 -27.11 68.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.64 -51.67 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.019 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.57 -13.49 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.81 39.25 97.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.3 mt -70.91 120.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.199 -171.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.18 158.43 32.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.7 Cg_endo -62.49 -12.99 30.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -83.39 -26.35 30.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -127.78 18.6 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.71 -46.84 83.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -62.08 -27.26 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.67 -44.19 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -72.74 -27.73 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.56 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -72.33 -45.29 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -95.21 16.88 15.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 49.8 59.35 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.978 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.4 t30 64.1 34.83 10.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 51.79 43.94 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.488 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 11.7 mmmm -95.28 73.16 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.1 mt -89.31 131.03 35.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.9 mt -118.77 154.58 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -157.62 154.28 28.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.18 89.56 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.84 63.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -147.59 -168.26 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.468 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 0.5 OUTLIER -57.75 161.31 3.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 169.357 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.85 130.36 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -123.71 154.48 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.14 130.87 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.39 127.88 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.03 -13.6 57.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.638 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -119.36 19.97 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -60.55 -18.39 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.27 -37.77 75.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -80.75 -6.64 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -171.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.16 125.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.62 59.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.444 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 140.02 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -88.59 92.59 9.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.66 132.76 20.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.708 0.766 . . . . 0.0 110.845 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.91 56.1 5.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.452 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 80.4 mt 54.31 29.23 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -87.32 -66.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -112.0 18.41 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.74 129.55 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.85 39.2 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.57 139.52 19.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -132.91 131.82 41.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 87.3 p -65.83 150.13 49.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.71 -41.43 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.02 -44.5 92.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.16 -41.5 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.28 -42.97 96.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.807 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.62 -35.16 78.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.88 -39.65 93.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.07 -29.46 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.25 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.26 -14.22 62.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.81 27.26 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -62.47 133.89 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -177.274 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.721 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 97.8 p -104.95 146.89 28.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 158.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.84 75.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 158.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 20.7 pt-20 -178.15 -167.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.75 34.02 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 160.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.498 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 69.6 mm-40 -101.41 171.22 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 157.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.56 120.91 38.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 167.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.26 30.68 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.61 162.81 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -159.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.22 170.28 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -88.69 165.58 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -89.97 -177.55 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -173.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.0 mm? -100.78 91.86 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 176.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.49 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -96.16 160.09 30.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.142 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.3 Cg_endo -66.82 -32.37 36.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -71.27 -41.12 70.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 75.7 mm-40 -71.1 -37.51 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.7 tt -73.37 -34.29 65.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 88.8 tt0 -59.13 -45.88 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 45' ' ' GLU . 1.3 pp -67.04 -27.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 71.1 t80 -70.13 -53.55 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.5 pttt -68.76 -30.69 69.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -68.54 -43.78 75.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.25 -38.1 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.45 -17.63 64.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 36.92 45.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.99 121.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.107 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.497 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 72.6 p -103.23 159.83 28.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.242 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 51.7 Cg_endo -68.12 -12.58 35.56 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.763 2.309 . . . . 0.0 112.228 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -77.53 -33.97 54.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.49 26.64 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.47 -44.7 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.01 -44.8 94.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -71.2 -30.62 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.59 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -71.73 -23.46 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.5 -38.2 49.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -97.62 14.31 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 49.81 64.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.5 t30 62.78 38.01 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 50.18 37.63 15.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HD2' ' HG ' ' A' ' 41' ' ' LEU . 12.9 mmmm -95.77 95.82 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 174.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.427 HD22 ' CZ ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -128.55 132.3 48.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.518 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.47 142.56 50.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -170.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.514 HG21 HG22 ' A' ' 79' ' ' VAL . 12.2 t -172.47 157.02 3.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -135.89 115.34 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 169.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 22.29 10.66 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.37 -178.4 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.773 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.49 151.48 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.514 HG22 HG21 ' A' ' 74' ' ' THR . 86.1 t -91.43 133.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -128.97 166.94 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -93.64 126.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -52.32 137.79 28.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.98 -21.94 43.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.87 31.68 4.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.54 -25.08 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.28 -37.89 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 174.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -67.7 -21.61 65.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.06 136.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.46 63.58 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -127.91 121.54 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.24 100.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.41 158.99 35.68 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 111.007 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 96' ' ' GLN . 23.2 Cg_exo -66.35 179.48 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.399 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.57 -27.11 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.55 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 98.6 mm-40 -119.33 31.98 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.25 119.76 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -104.6 12.39 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.45 150.37 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -145.14 127.74 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -71.57 157.01 38.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -63.73 -33.36 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 174.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.13 -29.26 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -78.37 -42.53 30.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.19 -39.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.148 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 61.6 mtpt -69.45 -35.91 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 111' ' ' GLU . 98.5 m-20 -69.51 -39.14 77.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -65.45 -43.49 90.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 60.6 tp -58.02 -46.76 84.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 175.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 106' ' ' LYS . 61.5 mtpt -61.09 -36.18 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 107' ' ' ASN . 48.3 mt-10 -65.92 -21.73 66.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 109' ' ' LEU . 31.1 tp -71.26 -26.03 62.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -177.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -91.05 95.94 10.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.765 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' C ' ' A' ' 31' ' ' GLU . 47.7 m 65.62 20.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -157.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.598 ' C ' ' O ' ' A' ' 30' ' ' SER . 88.6 tt0 15.9 65.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 -173.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -162.85 -19.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 165.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -162.58 167.23 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -176.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -130.69 32.85 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 170.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.75 148.22 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.37 -19.17 34.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -79.27 137.4 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.08 -178.85 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -93.58 150.51 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -78.86 179.95 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 71' ' ' LYS . 6.6 mp -98.57 75.13 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -71.37 151.04 94.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -59.39 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.576 2.184 . . . . 0.0 112.386 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -68.71 -48.98 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -67.37 -30.1 69.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.8 -43.99 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -67.34 -40.96 85.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.62 ' C ' HD11 ' A' ' 48' ' ' LEU . 1.2 pp -68.13 -25.23 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -72.14 -54.11 10.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -64.85 -24.96 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -76.1 -35.27 59.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 109' ' ' LEU . . . -69.95 -34.04 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -92.54 -18.63 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.43 46.0 57.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 94.3 mt -73.09 125.22 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 111.165 -171.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.489 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.5 p -104.41 159.5 29.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.0 Cg_endo -58.51 -20.84 51.36 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 176.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.49 -48.4 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.47 23.05 14.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.03 -48.08 77.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -72.14 -20.49 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -75.12 -37.21 61.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.96 174.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -78.46 -24.96 45.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.4 p -76.94 -25.94 53.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -71.3 -39.91 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -105.16 12.87 31.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.3 t30 52.36 60.06 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 66.6 35.96 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 53.9 43.13 31.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.9 mmmm -99.3 91.92 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 174.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.7 mt -112.33 131.49 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.3 mt -114.95 154.17 29.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.473 ' HB ' HG22 ' A' ' 79' ' ' VAL . 14.8 t -158.31 150.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -176.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -159.19 86.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.77 23.8 69.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -154.7 -173.13 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.663 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -56.58 137.18 54.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 173.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 74' ' ' THR . 62.6 t -74.78 131.17 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 173.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -126.54 153.97 44.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.0 t -77.23 125.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.159 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.86 133.35 55.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.46 -6.38 33.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -129.04 59.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.993 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.29 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.926 166.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -70.05 -11.05 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -107.29 4.02 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.3 mt -88.82 122.28 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 -8.47 65.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.69 156.67 17.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -178.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -103.35 96.53 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.15 145.46 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.979 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 97' ' ' ALA . 60.3 Cg_endo -68.45 154.4 71.9 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.74 -31.06 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -173.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.67 -41.01 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -109.12 14.28 24.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -79.22 135.24 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.97 28.23 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 166.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -158.82 135.63 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -133.74 142.44 47.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 84.5 p -71.99 150.75 43.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.726 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -59.59 -30.37 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.79 -50.07 72.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.53 -43.84 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.82 -48.34 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -70.02 -34.79 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.99 -41.39 99.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -80.05 -32.19 39.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 52' ' ' ALA . 49.4 tp -68.4 -39.33 81.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 -178.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.39 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -76.53 -29.88 56.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 173.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.64 36.77 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -158.51 137.34 11.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.441 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 t -102.36 104.64 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.802 -160.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.9 149.38 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 171.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 97.6 mt-10 -101.29 -15.64 17.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 75.9 mmtt 77.28 50.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.54 173.99 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 156.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -101.57 109.6 21.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 171.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -111.96 76.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.07 128.95 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 35.4 m -131.5 169.15 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.37 172.11 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.3 pt-20 -88.45 173.79 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -169.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD11 ' HG ' ' A' ' 73' ' ' LEU . 9.0 mp -112.65 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -177.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 63.7 p -88.08 160.5 46.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.682 . . . . 0.0 111.174 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.3 Cg_endo -61.26 -28.61 85.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 174.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.68 -39.24 84.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -70.47 -37.42 74.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.24 -37.0 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 96.7 mt-10 -66.39 -48.42 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.6 pp -65.16 -26.97 68.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.61 -56.32 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.7 pttt -64.68 -28.96 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.35 -56.01 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.831 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.52 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.2 tpp -73.15 -18.97 61.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.4 56.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.545 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.63 131.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.066 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 60.0 p -125.7 158.84 63.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 175.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 43.2 Cg_endo -64.45 -14.27 43.25 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -72.24 -30.54 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -132.64 26.48 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -66.68 -38.23 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -68.18 -41.42 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -60.83 -48.73 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 67' ' ' THR . 69.6 m95 -66.68 -37.04 83.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 177.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.31 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -82.21 -40.83 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -81.77 -24.87 35.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 63' ' ' TRP . 74.2 p -96.51 8.63 43.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.3 t30 50.39 54.69 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.3 t30 64.41 40.07 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 51.94 37.28 20.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -94.97 95.12 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.76 147.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -133.4 149.94 51.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -173.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.466 ' HA ' ' CH2' ' A' ' 80' ' ' TRP . 13.1 t -172.64 161.9 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 175.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.2 t0 -137.94 109.95 7.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 171.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.07 23.48 39.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.441 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 75' ' ' ASP . 95.5 mt-10 -140.33 -176.75 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -174.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.04 153.91 24.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -92.5 126.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.466 ' CH2' ' HA ' ' A' ' 74' ' ' THR . 35.0 p90 -124.08 160.19 28.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.7 t -94.37 123.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' HB2' HD13 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.56 134.95 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.62 -13.49 62.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -110.61 30.61 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 88' ' ' ILE . 62.2 mt-10 -59.71 -25.91 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.979 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.92 -42.11 85.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -72.35 -23.18 61.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.79 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 85' ' ' GLU . 96.2 mt -69.95 139.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.26 -15.17 63.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -168.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -101.28 150.42 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.947 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -90.36 109.18 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -121.56 153.05 59.19 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 121.543 0.687 . . . . 0.0 111.007 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.01 158.82 56.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.1 tp -53.7 -31.36 47.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -66.21 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.401 ' HA ' HH12 ' A' ' 98' ' ' ARG . 98.3 mm-40 -118.28 25.26 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.25 144.06 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.401 HH12 ' HA ' ' A' ' 96' ' ' GLN . 90.6 mmt-85 -131.44 27.73 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.34 155.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -150.86 159.02 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -96.09 147.44 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.86 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -55.52 -29.65 59.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.0 -27.09 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -82.98 -42.47 17.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.99 -45.55 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.42 -40.2 77.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -54.92 -39.32 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -78.56 -34.46 47.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.32 -35.42 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.36 -35.04 76.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.36 -25.98 64.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.33 -28.03 42.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -85.45 98.06 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -178.454 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 93.3 p -90.71 -132.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.813 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 30' ' ' SER . 88.6 tt0 -173.54 53.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 155.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 33' ' ' LYS . 88.3 tt0 -149.98 -80.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.555 ' HG3' ' HG2' ' A' ' 32' ' ' GLU . 97.4 mttt -124.51 175.28 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -96.23 161.85 13.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.6 143.52 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -174.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.17 77.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.25 157.76 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.539 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 21.9 m -75.77 168.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.191 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -85.4 147.06 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -97.69 179.78 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -163.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -94.44 88.88 5.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.465 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 66.7 p -104.64 157.36 34.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.129 172.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.2 Cg_endo -58.24 -29.53 87.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 0.0 112.408 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.72 -44.9 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.77 -30.28 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 42' ' ' THR . 91.2 mt -75.73 -40.07 56.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -64.66 -45.85 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.83 -33.19 75.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.941 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -68.12 -53.82 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.73 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -72.53 -41.04 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 mmt -82.31 -11.42 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.771 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.45 94.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.53 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.27 133.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.0 p -121.13 155.86 57.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.509 0.671 . . . . 0.0 111.153 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.48 -16.34 53.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -70.89 -49.42 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.44 24.56 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.28 -50.83 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -56.07 -33.37 64.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -69.05 -49.95 52.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.989 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -65.54 -37.82 87.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -77.56 -49.92 13.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.804 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -71.95 -23.7 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.9 p -94.34 6.04 49.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.77 56.25 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t30 65.8 35.69 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 53.36 43.24 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 12.7 mmmm -91.37 92.25 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 173.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 38.6 mt -114.22 140.26 48.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -122.88 149.42 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.404 ' HB ' HG22 ' A' ' 79' ' ' VAL . 11.1 t -167.9 152.66 6.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.539 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 66.8 t0 -154.1 92.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.31 25.08 56.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -155.56 -171.47 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -45.39 152.34 0.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 59.2 t -97.35 132.67 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 167.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -130.35 156.68 44.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -86.32 122.86 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 122.78 15.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.52 -15.9 45.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -113.23 19.57 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -58.08 -21.07 44.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 169.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.03 -48.74 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -77.82 -20.2 53.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 87.8 mt -73.2 138.47 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.27 19.1 36.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.535 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -114.13 161.59 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.02 82.92 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.5 pp -134.82 155.37 79.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.97 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 161.05 47.44 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.79 2.327 . . . . 0.0 112.427 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.51 -23.75 66.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.58 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -118.61 20.64 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.15 141.71 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.33 36.99 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.12 144.69 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -139.28 166.63 24.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -91.42 151.59 20.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -58.66 -32.07 68.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.2 -34.95 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.39 -43.89 80.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.4 -42.38 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 54.3 mtpt -69.37 -40.3 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -62.52 -40.56 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -76.0 -33.58 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.61 -36.08 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 106' ' ' LYS . 95.8 mttt -65.25 -29.61 70.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.26 -12.73 61.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.11 16.16 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -70.33 -56.5 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.351 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.3 p -90.73 161.03 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 -171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.32 113.2 20.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -148.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.52 -60.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.45 96.08 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -124.43 117.97 25.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 37' ' ' LYS . 96.0 mt-10 -134.55 161.58 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -157.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.85 69.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 -169.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 35' ' ' GLU . 22.5 ptmt -55.61 178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 175.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 34.0 m -43.96 158.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -160.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.05 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -165.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -70.89 -175.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 mp -120.76 78.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.445 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -73.64 158.42 86.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.571 0.7 . . . . 0.0 111.112 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 45.0 Cg_endo -69.28 -28.32 27.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.271 176.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -78.8 -32.17 46.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 70' ' ' PHE . 59.9 tp -74.98 -47.14 30.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 95.3 mt-10 -54.83 -40.47 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -176.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -28.16 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -67.82 -53.28 28.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB2' ' HB ' ' A' ' 55' ' ' ILE . 64.7 pttt -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -57.29 -33.65 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.811 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.89 -47.17 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.2 -15.85 62.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.797 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.56 28.44 65.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.405 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 50' ' ' LYS . 97.0 mt -63.75 133.24 29.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 0.0 111.093 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.588 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 70.4 p -111.95 161.63 24.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 38.8 Cg_endo -65.84 -8.87 20.99 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.662 2.241 . . . . 0.0 112.264 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.22 -31.71 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -119.08 16.5 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.99 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -69.07 -46.87 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.56 -32.87 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -76.46 -32.64 58.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.74 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.3 p -68.88 -15.38 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -86.33 -48.16 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -88.62 13.59 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -172.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 t30 56.31 59.84 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.3 t30 63.74 34.41 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' HB3' HD11 ' A' ' 46' ' ' LEU . 90.7 m-85 50.49 39.63 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 3.0 tppp? -80.2 86.52 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 178.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 11.3 mt -121.77 147.94 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -176.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.34 146.35 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t -171.64 156.07 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 67.9 t0 -144.42 115.3 7.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 161.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.94 21.22 4.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 75' ' ' ASP . 96.7 mt-10 -139.32 -175.71 4.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -174.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.76 149.69 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 83.9 t -92.33 129.85 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.419 ' CH2' HG11 ' A' ' 38' ' ' VAL . 40.7 p90 -129.56 171.76 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 174.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.17 126.49 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.476 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . 42.3 tt0 -57.29 135.82 56.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -178.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.47 -23.87 17.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.413 ' HB3' ' HB2' ' A' ' 87' ' ' HIS . 20.3 m-30 -98.38 33.81 2.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -172.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 88' ' ' ILE . 98.3 mt-10 -62.9 -25.37 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -71.16 -14.62 62.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' HA ' ' HD2' ' A' ' 90' ' ' LYS . 62.0 m170 -99.83 20.68 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 85' ' ' GLU . 97.2 mt -106.02 143.05 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.23 19.08 79.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.472 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 62.2 mtpt -78.42 176.53 9.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 176.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -110.89 51.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 pp -107.96 158.86 32.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.32 175.17 9.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.05 -21.69 63.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.2 -30.75 50.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -124.88 30.28 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.47 124.66 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -108.91 45.63 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.54 156.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -149.35 163.58 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -101.4 147.48 26.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -55.32 -30.11 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 172.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.94 -26.8 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -80.39 -41.04 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.0 -52.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.19 -48.72 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.74 -41.93 98.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -62.19 -42.86 99.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 112' ' ' LEU . 90.1 mt -59.3 -43.75 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 174.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.75 -35.15 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.73 -25.33 68.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 109' ' ' LEU . 95.6 mt -75.53 -24.66 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -177.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -108.12 86.38 2.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.3 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.4 t -89.57 -157.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 175.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -80.98 -109.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -170.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.97 -41.57 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -156.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.92 160.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -152.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -81.28 -175.29 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 -161.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 96.1 mt-10 -84.3 -19.59 33.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 97.9 mttt 66.21 60.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -171.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -66.98 170.98 5.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 35.0 m -60.39 164.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -173.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -87.14 154.43 20.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.15 173.78 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -161.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD13 HD11 ' A' ' 46' ' ' LEU . 3.1 mm? -76.54 74.72 3.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.2 p -84.76 155.41 61.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 111.128 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -62.75 -27.9 75.91 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.787 2.325 . . . . 0.0 112.367 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -69.96 -46.2 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.03 -30.89 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.409 HD11 HD13 ' A' ' 41' ' ' LEU . 6.1 mp -79.44 -35.81 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -70.26 -47.91 59.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.61 ' C ' HD11 ' A' ' 48' ' ' LEU . 1.3 pp -60.69 -28.78 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -65.34 -59.49 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.19 -29.12 69.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -63.46 -52.65 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.954 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.56 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 tpp -67.44 -30.73 70.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.86 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.97 35.95 11.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.38 115.32 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.97 0.414 . . . . 0.0 111.063 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.47 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 48.5 p -90.44 158.44 43.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.1 Cg_endo -62.8 -18.28 63.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.74 -44.94 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -115.68 19.93 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -62.2 -43.46 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -62.71 -35.46 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -68.04 -43.08 79.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -71.6 -29.25 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.4 p -73.91 -21.93 59.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -70.39 -40.63 73.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.421 ' HB ' HD12 ' A' ' 72' ' ' LEU . 76.9 p -105.25 9.63 33.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -166.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.5 t30 54.58 56.77 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.4 t30 63.3 36.62 11.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 53.17 47.48 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 16.1 tppt? -95.37 73.16 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD22 HG12 ' A' ' 79' ' ' VAL . 3.5 mp -126.93 144.45 51.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.42 155.32 47.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -175.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 t -168.56 156.05 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -176.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.1 t0 -150.23 96.97 2.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 163.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.15 25.98 70.04 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.402 -174.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 94.8 mt-10 -139.46 -176.72 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.437 ' HD1' ' HB3' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -58.51 151.27 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 170.088 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.485 HG12 HD22 ' A' ' 72' ' ' LEU . 52.9 t -104.66 120.3 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 175.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -131.67 153.68 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.63 124.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.5 127.51 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.42 -16.47 61.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 170.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -102.02 24.48 9.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.08 -26.85 63.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 165.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -65.95 -16.48 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -106.43 10.58 31.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -120.71 147.3 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.74 5.72 77.6 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -169.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -92.95 165.51 12.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.683 0.278 . . . . 0.0 110.868 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 11.4 pm0 -80.1 57.78 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.48 142.84 25.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.8 176.25 3.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.635 2.223 . . . . 0.0 112.377 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.5 -23.61 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.41 -45.47 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -80.5 -21.86 41.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.68 135.23 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -106.33 28.15 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 172.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.34 143.78 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' VAL . 19.8 m-90 -142.14 169.07 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -93.3 153.68 18.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -56.77 -33.98 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.92 163.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.65 -38.78 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.28 -45.03 93.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.67 -44.36 85.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.49 -48.92 78.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -74.7 -29.99 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.24 -45.38 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.7 -35.79 75.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.0 -26.38 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.69 -36.6 84.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.67 41.12 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.9 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -178.24 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 69.3 m -123.36 15.79 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.777 147.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 6.3 tp10 176.54 171.27 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.536 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 63.7 mm-40 -59.51 172.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.811 154.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -88.86 40.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.928 -164.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.97 -68.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 165.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -139.78 140.76 36.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 170.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.13 6.84 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -100.37 108.86 20.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 176.361 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -148.49 178.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -97.35 134.33 40.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 165.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -84.08 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -160.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.528 HD12 HD21 ' A' ' 46' ' ' LEU . 2.9 mm? -73.27 76.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 176.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.2 p -86.05 149.77 51.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.079 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.76 -27.73 81.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -70.45 -53.13 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.11 -34.31 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.528 HD21 HD12 ' A' ' 41' ' ' LEU . 87.4 mt -80.88 -41.23 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -173.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.23 -42.84 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -65.35 -27.25 68.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -67.8 -57.93 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.94 -27.24 68.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.19 -53.71 40.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.26 -37.17 80.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.6 tpp -70.1 -28.97 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.46 21.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.565 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.1 mt -75.56 117.42 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.4 p -93.66 158.91 35.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.637 0.732 . . . . 0.0 111.152 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -62.46 -13.64 34.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -80.64 -34.32 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -118.46 18.72 13.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.79 -48.45 74.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -63.01 -27.7 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.43 -40.85 73.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -73.99 -22.91 59.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.55 95.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 172.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.8 p -73.67 -25.37 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -69.1 -42.79 75.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.1 p -106.22 15.02 26.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -168.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.6 t30 54.75 60.28 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 65.17 34.55 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 50.45 43.44 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.32 66.59 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 75.8 mt -87.64 129.4 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.2 mt -123.33 155.87 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -159.48 150.29 19.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -146.75 89.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.814 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.54 21.35 62.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.409 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.79 -177.43 5.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.48 143.42 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 169.363 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 96.6 t -76.55 129.43 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -121.27 156.72 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -83.44 124.99 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -43.08 134.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.97 57.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.13 40.12 2.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.2 pm0 -59.93 -18.8 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.64 -34.72 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -85.39 -13.14 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -170.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.4 121.77 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -4.3 67.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.494 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.34 109.89 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.815 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -98.49 107.01 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.97 156.53 37.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.62 63.66 7.34 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.4 mt 57.7 28.65 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.82 -58.27 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.828 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -124.27 26.37 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.49 118.68 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -134.98 37.2 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.56 150.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -174.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -138.75 139.92 38.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.469 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 94.4 p -76.65 150.84 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -171.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -60.54 -30.44 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.56 -39.08 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.81 -45.23 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 98.1 mt -59.64 -43.89 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -65.09 -37.35 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.77 -40.83 96.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -72.8 -34.67 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.38 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -67.63 -34.24 76.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.86 -30.52 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.66 -35.47 70.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.6 -36.28 80.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 178.727 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 m -54.33 -32.1 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.39 132.68 45.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -130.49 85.09 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -151.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -92.33 87.87 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -142.78 -105.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -128.29 145.82 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 87.1 tttt -96.24 40.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -79.07 119.73 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -177.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.48 178.43 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -95.77 160.89 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.6 pt-20 -81.56 173.36 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -164.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD11 HD23 ' A' ' 73' ' ' LEU . 9.2 mp -108.63 104.56 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 175.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 69.2 p -91.87 157.92 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.4 Cg_endo -61.75 -28.99 82.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 174.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.42 -42.49 71.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 174.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HA ' HD21 ' A' ' 48' ' ' LEU . 90.3 mt-10 -66.53 -38.35 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.09 -38.78 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.16 -46.74 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.1 pp -65.65 -24.16 66.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.67 -57.58 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.5 -30.6 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.03 -49.18 71.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.82 73.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.4 tpp -65.54 -27.44 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.26 31.12 39.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -72.33 120.96 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 111.096 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.7 159.39 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 111.2 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 31.2 Cg_endo -60.83 -17.42 50.4 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -69.34 -48.22 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -111.15 22.97 14.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.96 -45.23 74.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -67.96 -27.53 66.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.43 -47.62 59.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.956 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -64.94 -33.09 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.03 90.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -75.91 -37.16 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -101.56 17.12 23.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -168.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 51.16 60.15 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 65.06 35.44 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.26 29.37 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -92.95 104.52 16.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 3.5 mp -131.49 145.05 51.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 41' ' ' LEU . 41.2 mt -120.07 156.22 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 79' ' ' VAL . 10.6 t -167.77 154.26 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 175.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.59 97.78 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.2 23.42 64.14 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.04 -177.06 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -172.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.454 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -61.1 150.62 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 168.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 89.7 t -85.01 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.6 p90 -127.56 158.52 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.77 131.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.25 128.48 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.37 -18.15 58.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.427 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -112.57 17.09 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -58.81 -15.5 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 167.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -35.5 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 168.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -74.95 -13.86 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.6 mt -56.21 125.3 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.198 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.06 12.1 66.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.503 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.43 110.39 16.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.904 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.31 103.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.3 mt -122.69 154.38 63.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.678 0.751 . . . . 0.0 110.917 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 166.39 22.95 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.562 2.175 . . . . 0.0 112.373 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.78 -25.32 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -72.37 -42.01 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.96 16.63 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.43 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -133.54 35.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.76 141.65 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.8 m-90 -142.88 146.95 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.872 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -79.05 147.77 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.27 -30.26 66.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 167.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -70.5 -33.37 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 174.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.87 -46.58 77.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.85 -41.61 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.04 -44.75 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -62.66 -36.04 81.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.819 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -67.91 -37.82 82.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 112' ' ' LEU . 96.1 mt -68.4 -33.12 73.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.02 -30.07 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -70.46 -29.23 65.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 109' ' ' LEU . 94.9 mt -73.77 -27.62 61.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.31 137.56 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.259 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' GLY . 30.8 t 140.89 -76.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 135.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -176.05 94.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -139.2 116.69 11.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -167.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 97.7 mttt -122.83 -27.7 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 171.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 86.3 tt0 -176.53 123.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 169.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.32 110.69 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 160.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -99.91 35.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 22.5 ptmt -147.34 52.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -147.3 168.84 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 168.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 -98.63 152.53 19.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -71.96 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -166.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.08 81.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.5 p -82.68 151.52 64.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.503 0.668 . . . . 0.0 111.14 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.11 -27.81 84.73 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -70.12 -42.47 72.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HA ' HD22 ' A' ' 48' ' ' LEU . 95.2 mt-10 -70.76 -30.0 66.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.17 -34.9 56.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -70.03 -46.2 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 45' ' ' GLU . 1.2 pp -63.72 -26.22 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -177.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.51 -58.64 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.49 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -64.51 -47.46 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.26 94.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -70.18 -21.65 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.7 55.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.08 127.99 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 111.078 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.5 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.3 p -103.27 158.35 31.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.598 0.713 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 35.0 Cg_endo -60.9 -14.27 31.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.408 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.25 -37.07 38.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -119.09 19.88 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.22 -46.62 76.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -63.85 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.81 -47.41 75.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.808 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -66.64 -39.23 88.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.32 71.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -79.1 -27.6 42.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -88.98 -30.76 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.46 ' HA ' HG21 ' A' ' 81' ' ' VAL . 72.0 p -90.32 -0.45 57.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.1 t30 57.74 59.64 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.2 t30 63.77 34.04 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 51.4 44.61 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 12.8 tptm -72.24 70.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 170.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 56.0 mt -97.22 137.47 36.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.983 -173.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.12 155.87 48.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.465 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 13.3 t -160.53 152.75 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -146.72 85.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.777 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 21.73 64.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.42 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -142.18 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -175.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.439 ' N ' ' HD1' ' A' ' 78' ' ' TRP . 8.5 m0 -68.27 149.81 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 173.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 98.0 t -87.33 123.94 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 159.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.465 ' CZ3' ' HA ' ' A' ' 74' ' ' THR . 25.1 p90 -132.46 158.22 42.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -174.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.46 HG21 ' HA ' ' A' ' 67' ' ' THR . 87.6 t -82.97 127.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 172.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -42.34 127.26 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.14 46.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.486 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -116.45 37.6 3.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -61.08 -20.89 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 171.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -72.98 -4.01 29.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -107.79 12.52 27.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.925 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 80' ' ' TRP . 87.7 mt -89.33 120.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.83 -14.93 64.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.98 172.31 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -117.42 105.65 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 96.9 mt -115.46 93.23 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 110.929 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 57.9 Cg_endo -65.66 -19.49 59.81 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.29 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.56 169.43 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -73.4 -4.86 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.31 -15.81 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.967 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.89 133.4 42.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.166 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -131.66 33.69 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.2 140.15 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -141.39 151.69 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.1 p -78.04 152.4 33.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -58.55 -33.7 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 170.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.69 -38.27 86.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -64.47 -45.75 86.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.02 -42.5 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.17 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -72.13 -37.74 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.61 -33.62 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.7 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.01 -20.95 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.498 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.3 pp -125.35 20.27 8.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -110.08 80.8 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.192 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 5.4 m 88.78 19.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 168.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -176.33 166.97 2.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -160.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' OE1' ' NZ ' ' A' ' 36' ' ' LYS . 93.5 mt-10 -126.05 0.67 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 168.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' GLU . 58.8 mtpt 40.66 56.91 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 168.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -160.62 153.12 20.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 95.8 mt-10 -95.77 9.73 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 169.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.549 ' NZ ' ' OE1' ' A' ' 32' ' ' GLU . 75.6 mmtt 71.02 10.6 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.838 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -150.98 -31.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.919 167.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG21 HD22 ' A' ' 73' ' ' LEU . 7.3 m -151.33 174.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -171.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.2 mmm-85 -93.22 142.87 26.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -75.41 179.45 5.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -163.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 73' ' ' LEU . 5.4 mp -110.45 82.93 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 70.7 p -74.18 157.41 86.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.8 Cg_endo -62.91 -22.41 73.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 173.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -78.78 -43.48 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.16 -37.01 77.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.07 -40.73 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.88 -41.11 68.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.597 ' C ' HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -67.15 -23.69 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.07 -58.75 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -65.34 -26.42 68.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.95 -47.69 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.819 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.18 90.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 mmt -82.28 -13.37 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.3 38.36 91.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.498 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.4 124.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 111.095 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.1 p -100.68 158.08 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.4 Cg_endo -60.16 -19.34 56.37 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.627 2.218 . . . . 0.0 112.327 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -69.33 -46.98 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.41 20.73 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -64.61 -51.25 63.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.852 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -64.51 -27.46 68.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.02 -43.16 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -68.78 -37.87 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.39 68.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -67.06 -47.31 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -80.31 -25.98 39.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.991 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -91.41 4.84 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.4 t30 53.63 58.22 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 65.12 35.17 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 50.22 39.69 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -89.25 71.66 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.9 135.89 33.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.492 HD23 HD11 ' A' ' 41' ' ' LEU . 65.1 mt -119.7 151.54 38.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -155.99 145.28 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -152.94 84.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 17.93 60.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -139.76 -178.95 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -176.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.49 143.52 53.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 172.366 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' TRP . 88.8 t -69.14 133.51 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.238 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -126.6 157.0 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.72 125.47 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.81 129.99 35.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.25 -12.86 55.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.7 38.06 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -62.32 -19.36 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -72.0 -7.87 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -107.87 10.13 28.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -80.96 126.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.64 8.13 77.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.555 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -98.75 149.76 22.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.685 0.278 . . . . 0.0 110.889 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -100.17 91.35 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -112.83 146.34 34.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -57.55 149.94 63.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.9 -32.51 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -74.8 -29.86 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -111.44 13.33 21.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.97 129.28 43.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -95.19 36.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 168.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.62 144.72 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.3 m-90 -136.44 146.28 46.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 16.6 t -70.87 145.47 50.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -61.38 -30.41 70.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -36.38 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.74 -44.47 93.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.11 -45.11 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.68 -38.82 92.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.84 -39.34 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -67.51 -39.3 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.9 -33.19 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.03 -30.63 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.33 -34.21 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 174.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.2 -37.14 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -118.08 88.0 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.3 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.5 p -101.1 162.53 12.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -170.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -105.56 174.38 5.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -161.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -121.71 120.81 35.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 164.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.73 146.13 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -157.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -134.82 -179.07 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.933 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.46 -52.68 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -173.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 42.51 64.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -121.29 138.25 54.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -167.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.54 -179.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -82.62 149.97 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -88.06 177.4 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -164.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mp -103.01 97.31 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -174.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 p -107.91 155.37 40.08 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.181 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -60.14 -29.12 88.42 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.99 -45.04 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -76.08 -29.24 57.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -75.27 -35.12 61.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.19 -53.04 34.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -56.21 -24.83 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -175.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -69.98 -58.95 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -68.82 -30.66 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.42 -47.8 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.0 tpp -69.56 -24.75 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.82 36.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.589 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.44 125.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -97.28 158.78 32.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 111.154 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -61.83 -17.87 57.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.751 2.301 . . . . 0.0 112.432 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.76 -46.91 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -113.57 23.14 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -65.96 -43.11 88.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -66.4 -33.23 75.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -66.54 -41.1 89.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -74.23 -36.06 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.88 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.1 p -71.3 -30.55 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -89.75 -30.78 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -88.05 10.21 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 t30 49.45 54.68 10.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 66.49 35.79 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 51.46 35.47 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -84.58 96.9 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 172.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 mt -117.81 132.18 56.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -166.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.1 mt -114.74 153.56 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -168.08 155.54 8.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -153.71 96.3 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.46 20.52 23.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -140.46 -178.09 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -57.85 152.31 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 172.644 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.28 135.25 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -128.34 159.64 34.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -87.92 127.09 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.09 127.56 29.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.13 -18.71 55.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -111.18 20.13 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.92 -21.51 63.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.876 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -92.79 1.28 57.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -114.53 5.58 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.9 pt -111.06 157.81 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 -177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.61 10.52 85.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 -172.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -104.18 166.78 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 12.2 pm0 -83.51 57.6 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.96 153.91 37.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.02 -178.3 2.0 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.776 2.318 . . . . 0.0 112.251 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -76.47 -19.26 58.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.58 -35.99 45.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -99.42 14.85 28.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.07 142.14 38.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.12 23.36 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.95 147.18 9.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -144.61 155.53 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -91.35 148.02 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -174.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -57.16 -27.64 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.85 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -81.41 -42.96 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.8 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.03 -44.81 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.27 -39.5 78.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -58.97 -46.95 86.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 111' ' ' GLU . 42.8 mmt180 -76.0 -35.67 59.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 112' ' ' LEU . 50.9 tp -58.3 -43.43 88.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.13 -28.41 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' ARG . 99.8 mt-10 -57.31 -30.15 64.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 109' ' ' LEU . 1.8 pt? -125.2 5.91 7.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -146.44 55.91 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 175.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.0 t -53.47 136.49 37.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.829 -164.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -86.02 -179.72 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.94 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -104.48 -56.66 2.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -95.95 134.39 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -164.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -116.17 17.86 15.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -170.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.56 128.73 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 167.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.7 68.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 168.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.6 135.0 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -165.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG21 ' HB3' ' A' ' 73' ' ' LEU . 33.2 m -134.72 -177.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.11 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -89.93 143.47 26.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -100.57 170.4 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -160.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 ' H ' ' A' ' 72' ' ' LEU . 1.8 mm? -76.82 79.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 60.2 p -79.21 158.56 74.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 111.186 167.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.4 Cg_endo -61.69 -25.9 79.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.296 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.52 -43.27 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -76.49 -28.93 56.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.45 -53.22 7.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.24 -37.43 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -171.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -66.47 -26.3 67.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -176.323 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -69.07 -57.27 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -64.12 -27.53 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -66.05 -46.23 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 174.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.41 67.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 tpp -67.78 -24.97 65.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.4 38.69 17.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.445 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.09 132.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.15 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 69.0 p -123.43 156.02 64.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.64 0.733 . . . . 0.0 111.185 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 52.5 Cg_endo -66.85 -15.13 46.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.02 -48.35 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.15 26.26 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.52 -46.38 86.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -65.55 -33.14 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.88 -48.07 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.031 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.3 -38.46 90.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.61 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -81.27 -32.88 33.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -89.48 -29.21 19.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.958 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 p -90.34 11.98 19.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 50.4 63.35 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.867 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.3 t30 59.78 36.15 22.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 54.06 37.3 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -95.62 91.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' H ' HD11 ' A' ' 41' ' ' LEU . 32.1 mt -108.23 137.57 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' HB ' ' A' ' 74' ' ' THR . 70.3 mt -128.02 151.38 49.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 73' ' ' LEU . 15.1 t 179.55 166.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 167.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -145.87 105.92 4.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.78 20.88 62.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.28 -178.12 5.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 -175.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -59.87 148.4 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 169.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' TRP . 91.5 t -79.24 137.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.064 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -131.13 160.77 33.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.62 131.13 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.4 134.08 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -1.54 86.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -123.09 31.47 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -58.6 -21.69 54.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 165.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.39 -30.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -94.85 38.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -106.59 128.18 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.14 26.32 58.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.434 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.26 169.43 10.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 178.297 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -101.67 35.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 70.5 mt -100.09 153.5 37.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.873 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.5 171.94 14.31 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.297 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.97 -30.11 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.03 -41.4 82.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -96.85 18.62 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.86 52.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -93.98 47.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 170.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.99 137.69 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' VAL . 4.3 m-90 -133.67 161.32 34.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.92 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 94.0 p -91.59 152.24 20.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -59.28 -32.78 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 171.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.37 -36.08 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.987 0.422 . . . . 0.0 110.924 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.98 -44.44 89.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.42 -39.62 83.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -65.33 -37.85 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -70.8 -37.9 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.36 -35.81 82.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.85 -32.53 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.9 -20.67 62.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.3 mt -93.2 15.95 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.973 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -121.73 89.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -177.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -75.49 138.12 41.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -83.01 -179.4 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -164.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 71' ' ' LYS . 34.9 mt -123.0 74.7 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -168.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 71.1 p -90.85 155.37 45.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.107 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.53 -17.11 58.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -86.29 -46.02 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.01 -38.65 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.1 mt -66.93 -23.94 66.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -171.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 94.6 mt-10 -60.91 -30.66 70.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -176.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -63.57 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -177.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.31 -59.22 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 63.5 pttt -64.28 -26.0 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -63.21 -48.44 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.8 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.417 ' HB2' HG13 ' A' ' 55' ' ' ILE . 22.3 mmt -76.2 -16.26 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.57 36.09 75.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 53' ' ' MET . 97.2 mt -71.34 129.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.108 -171.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.512 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 36.7 p -98.06 159.93 29.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.7 Cg_endo -60.03 -18.81 52.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.365 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.3 -50.62 30.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -105.8 21.09 17.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 74.5 t80 -63.57 -54.29 38.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -63.22 -30.37 71.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.91 -45.48 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -71.08 -37.97 72.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.71 -27.65 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -75.35 -54.69 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -63.98 -26.62 68.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -96.63 2.62 52.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.6 t30 54.13 60.94 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 t30 66.49 35.75 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.422 ' O ' HD22 ' A' ' 46' ' ' LEU . 81.7 m-85 52.6 35.33 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HB3' HD13 ' A' ' 41' ' ' LEU . 67.1 mmtt -98.18 98.46 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB3' HG12 ' A' ' 79' ' ' VAL . 4.3 mp -128.66 129.23 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.0 mt -97.03 150.13 21.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -170.53 170.92 6.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 63.8 t0 -151.86 81.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 174.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.12 26.7 67.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 75' ' ' ASP . 12.7 pt-20 -147.78 -169.57 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -172.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 80' ' ' TRP . 32.7 p-90 -51.78 140.73 18.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 72' ' ' LEU . 57.7 t -101.89 144.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 78' ' ' TRP . 45.6 p90 -135.41 156.0 49.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.84 132.22 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.56 125.69 22.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.36 -11.67 65.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.25 7.03 15.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HA ' HG12 ' A' ' 88' ' ' ILE . 22.2 pm0 -63.33 -14.87 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 169.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -81.11 -14.05 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 171.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -108.03 27.77 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.477 HG12 ' HA ' ' A' ' 85' ' ' GLU . 51.1 mm -99.08 140.07 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.11 13.27 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -106.25 159.46 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -83.59 84.43 7.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 87.6 mt -118.28 142.08 30.64 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.961 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.59 176.31 5.15 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.72 -31.38 72.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.61 -30.98 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 99.8 mm-40 -102.88 -8.76 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.21 137.65 56.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -135.94 30.57 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.17 141.04 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -140.84 159.02 43.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -87.47 153.14 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -54.9 -30.43 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 168.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.47 -39.3 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.94 -41.43 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.7 -47.19 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -68.8 -32.23 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -55.52 -50.21 70.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -73.21 -37.46 66.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 tp -64.82 -39.34 93.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.8 -31.65 72.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.15 -30.21 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.877 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 177.521 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -102.62 140.29 37.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -79.1 176.74 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -164.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.3 mp -83.69 91.59 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.8 p -95.15 153.17 39.8 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.683 0.754 . . . . 0.0 111.052 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -58.49 -28.33 85.08 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.529 2.153 . . . . 0.0 112.43 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.9 -49.01 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.39 -27.54 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.88 -39.65 16.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.81 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -65.25 -25.6 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.75 -59.21 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 55' ' ' ILE . 65.7 pttt -65.45 -26.96 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.75 -44.07 91.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.52 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -76.16 -13.21 60.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.54 32.99 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.538 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 50' ' ' LYS . 88.5 mt -75.15 124.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -171.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -102.89 158.79 31.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.7 0.762 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.5 Cg_endo -59.99 -17.69 46.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.773 2.315 . . . . 0.0 112.31 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.75 -42.14 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -117.76 20.35 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -65.37 -50.11 66.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -61.95 -28.42 69.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.37 -46.13 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -66.62 -35.87 81.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.03 69.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.2 m -74.25 -40.95 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -83.47 -27.05 29.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.801 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -91.23 4.35 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 t30 53.54 58.14 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 64.84 34.12 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 52.71 38.44 26.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -87.17 93.74 9.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -119.81 132.24 55.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -168.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -113.96 153.34 29.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 172.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -162.26 159.28 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -154.45 85.45 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 171.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.86 15.05 33.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -135.66 -127.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -173.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.7 m0 -75.39 145.37 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 171.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 98.7 t -93.52 116.65 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 159.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -124.18 158.26 32.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -170.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.1 t -84.18 127.06 40.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -49.61 126.6 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.96 -11.7 45.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.77 37.48 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.944 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.4 mp0 -52.98 -23.27 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.83 -42.29 98.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -80.25 -11.9 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -168.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.62 125.85 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.21 18.74 56.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.425 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 163.71 16.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -104.97 105.57 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -116.12 88.1 21.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.76 -16.81 33.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.62 2.213 . . . . 0.0 112.409 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.51 179.62 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.84 -4.99 22.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.55 -10.45 59.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 132.28 22.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -132.73 17.36 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.15 143.21 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.5 m-90 -139.29 161.48 37.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 27.4 t -89.4 149.62 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -57.62 -31.94 66.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 166.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -71.5 -34.3 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -67.58 -43.32 80.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.8 -42.61 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -63.74 -39.43 94.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.55 -34.32 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -67.83 -41.43 83.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.83 -34.49 78.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.52 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.16 -29.18 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 176.877 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 30.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -91.28 159.17 16.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.745 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 42' ' ' THR . 24.4 pt-20 -75.51 -179.3 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -165.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 5.8 mp -111.56 81.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 40' ' ' GLU . 64.1 p -79.32 154.9 76.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 111.188 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.88 -27.36 80.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.23 -46.74 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.39 -32.6 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.6 -42.81 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.689 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.7 pp -64.45 -28.52 69.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' N ' HD12 ' A' ' 48' ' ' LEU . 70.8 t80 -66.54 -56.39 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.26 -28.44 69.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -66.36 -51.59 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.32 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.7 tpp -68.21 -28.33 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.23 33.61 22.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.489 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.5 mt -77.89 127.92 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' TYR . 44.8 p -112.05 160.03 31.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.519 0.676 . . . . 0.0 111.194 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -59.26 -14.18 23.2 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.756 2.304 . . . . 0.0 112.418 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.02 -38.67 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -115.99 17.8 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' THR . 90.7 t80 -64.72 -48.55 74.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -62.19 -29.7 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -67.99 -44.47 76.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -72.6 -25.64 61.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.47 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -80.88 -23.58 38.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.809 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -71.34 -46.96 59.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -96.23 11.35 34.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.3 t30 52.01 60.51 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 67.71 35.35 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 51.47 42.93 29.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.751 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 10.1 mmpt? -82.51 52.96 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.829 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.517 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 87.4 mt -75.13 139.54 42.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -139.08 156.41 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 177.395 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 t -166.58 155.41 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.0 t0 -145.55 91.42 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.69 22.88 66.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.49 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -140.98 -177.12 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -58.95 153.26 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 166.635 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.517 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 99.1 t -86.84 139.17 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -135.11 156.82 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.4 t -81.92 130.61 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.645 ' HB2' HD11 ' A' ' 73' ' ' LEU . 89.1 tt0 -46.68 129.65 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 172.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.72 -19.31 55.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.74 35.41 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.93 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -17.27 51.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 160.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.61 -18.04 50.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 167.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 63.0 m170 -115.11 41.77 2.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -172.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.67 117.32 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.16 18.33 59.42 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 8.4 mptt -107.72 140.22 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -85.07 85.41 7.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.99 152.08 48.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.022 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ALA . 59.8 Cg_endo -71.25 162.09 43.62 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.737 2.291 . . . . 0.0 112.369 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.4 -29.77 66.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.55 -38.63 77.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -101.18 7.85 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -82.16 141.75 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.84 35.74 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.01 142.89 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -141.95 151.35 42.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.988 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.9 p -84.29 151.47 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.844 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -58.74 -30.25 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 170.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.62 -35.62 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -64.63 -48.16 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.6 mt -57.34 -42.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.33 -40.41 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.28 -39.69 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -72.01 -34.6 68.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.88 -32.78 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.76 -34.25 77.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.73 -21.06 64.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 176.067 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 HD23 ' A' ' 73' ' ' LEU . 30.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -99.91 155.54 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 162.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 42' ' ' THR . 25.4 pt-20 -70.0 169.83 12.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -162.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD11 ' HG ' ' A' ' 73' ' ' LEU . 10.9 mp -112.2 84.94 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 40' ' ' GLU . 53.5 p -81.45 155.29 71.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.169 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -61.36 -27.46 82.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -71.33 -39.73 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -68.8 -33.96 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.62 -37.01 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.85 -48.93 69.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.7 pp -64.34 -23.96 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' A' ' 53' ' ' MET . 82.9 t80 -68.09 -61.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 174.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -63.47 -25.11 68.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.11 -56.37 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.67 91.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 49' ' ' PHE . 98.0 mmm -76.13 -7.03 53.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.03 44.53 23.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.422 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.71 127.18 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.185 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.1 p -115.99 156.82 46.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.184 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.21 -18.72 61.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.85 -36.19 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -109.29 22.64 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.31 -51.08 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -76.22 -28.63 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.96 -46.23 85.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.836 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -70.3 -41.9 72.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.74 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -69.52 -48.38 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -77.35 -24.62 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.88 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -94.97 4.47 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.1 t30 50.4 62.7 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.1 t30 64.66 36.69 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 55.45 39.65 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HE3' HD22 ' A' ' 41' ' ' LEU . 37.8 tptt -107.35 104.69 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 175.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.66 150.06 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.462 HD23 HG21 ' A' ' 38' ' ' VAL . 4.3 mp -124.95 156.8 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.447 ' HB ' HG22 ' A' ' 79' ' ' VAL . 8.8 t -150.01 139.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -175.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 58.7 t0 -144.04 83.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.62 24.61 66.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.02 -173.73 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.852 -176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.74 152.29 19.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 175.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 74' ' ' THR . 70.4 t -84.07 125.32 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -114.52 152.63 31.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.5 135.23 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.73 132.06 40.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.75 63.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.75 31.1 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.889 0.375 . . . . 0.0 110.995 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -61.25 -19.77 62.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.18 -33.27 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -81.97 -5.13 58.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 125.08 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.37 12.87 62.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -118.88 146.97 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.624 0.249 . . . . 0.0 110.899 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -97.13 98.35 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.46 148.02 35.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.935 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.49 161.34 46.39 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.367 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.5 -30.37 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.77 -30.59 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -120.6 26.2 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.01 137.33 40.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.6 27.16 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 174.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.95 145.7 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -140.02 144.69 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.5 p -75.58 150.99 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -60.49 -30.82 69.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 170.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.44 -40.03 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.16 -45.89 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.04 -42.2 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -65.66 -38.55 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.41 -36.78 78.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -77.15 -34.46 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.81 -34.05 77.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.83 -30.97 71.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.51 -7.93 55.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 178.337 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 33.8 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -93.24 148.53 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.3 pt-20 -75.31 178.1 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -164.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.2 mp -105.67 99.54 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 71.2 p -88.64 158.25 48.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.693 . . . . 0.0 111.188 175.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 38.3 Cg_endo -61.82 -29.24 82.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 174.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -71.73 -41.34 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.71 -35.81 77.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.71 -39.5 26.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.72 -41.75 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.5 pp -66.71 -25.16 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.453 ' N ' HD12 ' A' ' 48' ' ' LEU . 90.6 t80 -66.22 -59.14 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.64 -27.77 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.63 -43.82 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.81 76.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.411 ' HB2' HG13 ' A' ' 55' ' ' ILE . 25.4 mmt -76.08 -21.59 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.883 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.42 64.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' A' ' 53' ' ' MET . 98.5 mt -65.05 117.83 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 111.086 -169.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 69.0 p -88.09 160.11 46.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.522 0.677 . . . . 0.0 111.174 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 45.8 Cg_endo -62.76 -13.11 32.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.38 -39.61 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.2 20.05 15.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -65.02 -49.15 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE2' ' HG3' ' A' ' 62' ' ' GLN . 55.2 p-90 -63.3 -31.94 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 61' ' ' TRP . 88.8 mt-30 -65.76 -48.97 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -65.98 -31.52 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -29.86 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.026 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -82.82 -31.0 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -174.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -87.94 -29.17 21.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.8 p -88.15 7.79 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 49.85 65.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 63.86 33.44 12.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 54.94 33.34 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -95.68 98.87 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mp -124.81 146.63 49.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -130.79 157.3 43.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.8 t -167.84 155.85 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.5 t0 -142.53 93.91 2.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 24.63 62.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -145.87 -170.37 3.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -171.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -64.22 150.71 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 174.356 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.78 136.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -129.68 160.82 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.85 133.78 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.661 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.8 tt0 -53.89 131.4 39.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.56 -14.79 62.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.56 40.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.979 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.2 mp0 -56.76 -26.29 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -65.01 -4.44 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 173.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -116.5 21.68 13.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 89.0 mt -103.78 115.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.33 -14.23 63.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 10.2 mptt -81.51 -179.83 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -136.06 62.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.51 154.61 48.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.974 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.28 159.61 51.47 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.747 2.298 . . . . 0.0 112.362 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -47.5 -42.08 22.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.99 -37.89 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -104.58 14.8 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.07 137.96 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.25 39.3 3.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.23 139.3 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -137.61 165.76 25.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 167.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.56 -34.34 74.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -67.79 -43.72 79.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.87 -43.95 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -64.96 -39.14 93.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -73.31 -36.13 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.82 -31.37 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.29 -34.13 72.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.66 -26.41 65.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.4 pp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -88.56 145.81 25.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.71 171.36 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -88.27 97.04 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 172.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -92.61 151.2 40.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -60.57 -27.75 85.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.249 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -69.45 -53.47 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.31 -31.98 73.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 41' ' ' LEU . 84.6 mt -80.25 -43.24 21.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -175.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.82 -42.4 73.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.572 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.0 pp -65.06 -25.27 67.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -69.72 -58.16 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -65.49 -27.11 68.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.64 -51.67 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.019 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.57 -13.49 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.81 39.25 97.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.3 mt -70.91 120.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.199 -171.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.18 158.43 32.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.7 Cg_endo -62.49 -12.99 30.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -83.39 -26.35 30.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -127.78 18.6 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.71 -46.84 83.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -62.08 -27.26 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.67 -44.19 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -72.74 -27.73 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.56 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -72.33 -45.29 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -95.21 16.88 15.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 49.8 59.35 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.978 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.4 t30 64.1 34.83 10.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 51.79 43.94 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.7 mmmm -95.28 73.16 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.1 mt -89.31 131.03 35.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.9 mt -118.77 154.58 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -157.62 154.28 28.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.18 89.56 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.84 63.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -147.59 -168.26 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.468 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 0.5 OUTLIER -57.75 161.31 3.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 169.357 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.85 130.36 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -123.71 154.48 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.14 130.87 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.39 127.88 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.03 -13.6 57.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.638 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -119.36 19.97 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -60.55 -18.39 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.27 -37.77 75.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -80.75 -6.64 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -171.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.16 125.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.62 59.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.444 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 140.02 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -88.59 92.59 9.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.66 132.76 20.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.708 0.766 . . . . 0.0 110.845 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.91 56.1 5.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.452 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 80.4 mt 54.31 29.23 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -87.32 -66.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -112.0 18.41 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.74 129.55 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.85 39.2 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.57 139.52 19.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -132.91 131.82 41.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 87.3 p -65.83 150.13 49.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.71 -41.43 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.02 -44.5 92.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.16 -41.5 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.28 -42.97 96.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.807 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.62 -35.16 78.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.88 -39.65 93.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.07 -29.46 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.25 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.26 -14.22 62.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.864 0.364 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -88.69 165.58 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.5 pt-20 -89.97 -177.55 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -173.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.0 mm? -100.78 91.86 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 176.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -96.16 160.09 30.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.142 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.3 Cg_endo -66.82 -32.37 36.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -71.27 -41.12 70.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 75.7 mm-40 -71.1 -37.51 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.7 tt -73.37 -34.29 65.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 88.8 tt0 -59.13 -45.88 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.3 pp -67.04 -27.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -70.13 -53.55 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.5 pttt -68.76 -30.69 69.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -68.54 -43.78 75.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.25 -38.1 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.45 -17.63 64.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 36.92 45.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.99 121.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.107 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 72.6 p -103.23 159.83 28.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.242 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 51.7 Cg_endo -68.12 -12.58 35.56 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.763 2.309 . . . . 0.0 112.228 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -77.53 -33.97 54.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.49 26.64 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.47 -44.7 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.01 -44.8 94.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -71.2 -30.62 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.59 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -71.73 -23.46 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.5 -38.2 49.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -97.62 14.31 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 49.81 64.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.5 t30 62.78 38.01 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 50.18 37.63 15.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HD2' ' HG ' ' A' ' 41' ' ' LEU . 12.9 mmmm -95.77 95.82 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 174.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.55 132.3 48.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -129.47 142.56 50.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -170.337 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.515 HG21 HG22 ' A' ' 79' ' ' VAL . 12.2 t -172.47 157.02 3.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -135.89 115.34 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 169.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 22.29 10.66 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.37 -178.4 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.773 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.49 151.48 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG22 HG21 ' A' ' 74' ' ' THR . 86.1 t -91.43 133.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -128.97 166.94 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -93.64 126.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.32 137.79 28.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.98 -21.94 43.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.87 31.68 4.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.54 -25.08 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.28 -37.89 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 174.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -67.7 -21.61 65.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.06 136.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.46 63.58 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -127.91 121.54 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.24 100.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.41 158.99 35.68 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 111.007 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 96' ' ' GLN . 23.2 Cg_exo -66.35 179.48 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.399 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.57 -27.11 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.55 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.495 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 98.6 mm-40 -119.33 31.98 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.25 119.76 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -104.6 12.39 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.45 150.37 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -145.14 127.74 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -71.57 157.01 38.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -63.73 -33.36 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 174.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.13 -29.26 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -78.37 -42.53 30.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.19 -39.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.148 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 61.6 mtpt -69.45 -35.91 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.51 -39.14 77.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -65.45 -43.49 90.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.02 -46.76 84.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 106' ' ' LYS . 61.5 mtpt -61.09 -36.18 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.92 -21.73 66.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -177.217 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -93.58 150.51 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -78.86 179.95 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 71' ' ' LYS . 6.6 mp -98.57 75.13 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -71.37 151.04 94.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -59.39 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.576 2.184 . . . . 0.0 112.386 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -68.71 -48.98 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -67.37 -30.1 69.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.8 -43.99 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -67.34 -40.96 85.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.2 pp -68.13 -25.23 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -72.14 -54.11 10.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -64.85 -24.96 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -76.1 -35.27 59.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.04 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -92.54 -18.63 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.43 46.0 57.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 94.3 mt -73.09 125.22 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 111.165 -171.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.496 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.5 p -104.41 159.5 29.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.0 Cg_endo -58.51 -20.84 51.36 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 176.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.49 -48.4 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.47 23.05 14.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.03 -48.08 77.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -72.14 -20.49 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -75.12 -37.21 61.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.96 174.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -78.46 -24.96 45.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.4 p -76.94 -25.94 53.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -71.3 -39.91 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -105.16 12.87 31.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.3 t30 52.36 60.06 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 66.6 35.96 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 53.9 43.13 31.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.9 mmmm -99.3 91.92 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 174.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.7 mt -112.33 131.49 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.3 mt -114.95 154.17 29.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.464 ' HB ' HG22 ' A' ' 79' ' ' VAL . 14.8 t -158.31 150.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -176.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -159.19 86.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.77 23.8 69.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -154.7 -173.13 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.663 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -56.58 137.18 54.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 173.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 74' ' ' THR . 62.6 t -74.78 131.17 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 173.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -126.54 153.97 44.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.0 t -77.23 125.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.159 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.86 133.35 55.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.46 -6.38 33.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -129.04 59.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.993 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.29 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.926 166.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -70.05 -11.05 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -107.29 4.02 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.3 mt -88.82 122.28 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 -8.47 65.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.69 156.67 17.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -178.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -103.35 96.53 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.15 145.46 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.979 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 97' ' ' ALA . 60.3 Cg_endo -68.45 154.4 71.9 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.74 -31.06 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -173.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.67 -41.01 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -109.12 14.28 24.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -79.22 135.24 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.97 28.23 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 166.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 79' ' ' VAL . . . -158.82 135.63 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 176.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -133.74 142.44 47.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 84.5 p -71.99 150.75 43.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.726 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -59.59 -30.37 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.79 -50.07 72.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.53 -43.84 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.82 -48.34 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -70.02 -34.79 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.99 -41.39 99.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -80.05 -32.19 39.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.4 -39.33 81.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.39 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -76.53 -29.88 56.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 173.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -176.776 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.779 0.323 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.37 172.11 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.3 pt-20 -88.45 173.79 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -169.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD11 ' HG ' ' A' ' 73' ' ' LEU . 9.0 mp -112.65 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -177.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 63.7 p -88.08 160.5 46.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.682 . . . . 0.0 111.174 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.3 Cg_endo -61.26 -28.61 85.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 174.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.68 -39.24 84.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -70.47 -37.42 74.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.24 -37.0 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 96.7 mt-10 -66.39 -48.42 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.6 pp -65.16 -26.97 68.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.61 -56.32 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.7 pttt -64.68 -28.96 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.35 -56.01 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.831 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.52 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.2 tpp -73.15 -18.97 61.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.4 56.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.545 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.63 131.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.066 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 60.0 p -125.7 158.84 63.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 175.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 43.2 Cg_endo -64.45 -14.27 43.25 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -72.24 -30.54 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -132.64 26.48 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -66.68 -38.23 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -68.18 -41.42 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -60.83 -48.73 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' A' ' 67' ' ' THR . 69.6 m95 -66.68 -37.04 83.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 177.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.31 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -82.21 -40.83 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -81.77 -24.87 35.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 63' ' ' TRP . 74.2 p -96.51 8.63 43.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.3 t30 50.39 54.69 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.3 t30 64.41 40.07 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 51.94 37.28 20.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -94.97 95.12 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.76 147.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.845 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -133.4 149.94 51.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -173.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.477 ' HA ' ' CH2' ' A' ' 80' ' ' TRP . 13.1 t -172.64 161.9 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 175.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -137.94 109.95 7.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.07 23.48 39.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.441 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -140.33 -176.75 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.04 153.91 24.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -92.5 126.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 74' ' ' THR . 35.0 p90 -124.08 160.19 28.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.7 t -94.37 123.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.845 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.56 134.95 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.62 -13.49 62.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -110.61 30.61 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 88' ' ' ILE . 62.2 mt-10 -59.71 -25.91 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.979 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.92 -42.11 85.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -72.35 -23.18 61.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.79 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 85' ' ' GLU . 96.2 mt -69.95 139.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.26 -15.17 63.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -168.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -101.28 150.42 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.947 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -90.36 109.18 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -121.56 153.05 59.19 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 121.543 0.687 . . . . 0.0 111.007 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.01 158.82 56.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.1 tp -53.7 -31.36 47.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -66.21 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.419 ' HA ' HH12 ' A' ' 98' ' ' ARG . 98.3 mm-40 -118.28 25.26 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.25 144.06 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.419 HH12 ' HA ' ' A' ' 96' ' ' GLN . 90.6 mmt-85 -131.44 27.73 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.34 155.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -150.86 159.02 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -96.09 147.44 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.86 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -55.52 -29.65 59.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.0 -27.09 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -82.98 -42.47 17.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.99 -45.55 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.42 -40.2 77.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -54.92 -39.32 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -78.56 -34.46 47.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.32 -35.42 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.36 -35.04 76.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.36 -25.98 64.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 178.268 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 21.9 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.819 0.343 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -85.4 147.06 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HG3' HG23 ' A' ' 42' ' ' THR . 24.7 pt-20 -97.69 179.78 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -163.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.785 HD11 ' H ' ' A' ' 72' ' ' LEU . 3.6 mm? -94.44 88.88 5.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 66.7 p -104.64 157.36 34.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.129 172.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.2 Cg_endo -58.24 -29.53 87.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 0.0 112.408 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.72 -44.9 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.77 -30.28 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD21 HD12 ' A' ' 41' ' ' LEU . 91.2 mt -75.73 -40.07 56.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -64.66 -45.85 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.7 pp -65.83 -33.19 75.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.941 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -68.12 -53.82 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.73 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -72.53 -41.04 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 mmt -82.31 -11.42 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.771 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.45 94.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.53 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.27 133.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.0 p -121.13 155.86 57.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.509 0.671 . . . . 0.0 111.153 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.48 -16.34 53.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -70.89 -49.42 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.44 24.56 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.28 -50.83 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -56.07 -33.37 64.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -69.05 -49.95 52.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.989 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -65.54 -37.82 87.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -77.56 -49.92 13.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.804 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -71.95 -23.7 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.9 p -94.34 6.04 49.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.77 56.25 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t30 65.8 35.69 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 53.36 43.24 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 12.7 mmmm -91.37 92.25 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 173.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.785 ' H ' HD11 ' A' ' 41' ' ' LEU . 38.6 mt -114.22 140.26 48.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -122.88 149.42 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -167.9 152.66 6.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 66.8 t0 -154.1 92.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.31 25.08 56.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -155.56 -171.47 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -45.39 152.34 0.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 59.2 t -97.35 132.67 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 167.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -130.35 156.68 44.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -86.32 122.86 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 122.78 15.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.52 -15.9 45.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -113.23 19.57 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -58.08 -21.07 44.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 169.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.03 -48.74 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -77.82 -20.2 53.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 87.8 mt -73.2 138.47 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.27 19.1 36.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.535 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -114.13 161.59 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.02 82.92 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.5 pp -134.82 155.37 79.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.97 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 161.05 47.44 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.79 2.327 . . . . 0.0 112.427 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.51 -23.75 66.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.58 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -118.61 20.64 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.15 141.71 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.33 36.99 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.12 144.69 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -139.28 166.63 24.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -91.42 151.59 20.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -58.66 -32.07 68.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.2 -34.95 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.39 -43.89 80.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.4 -42.38 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.37 -40.3 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -62.52 -40.56 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -76.0 -33.58 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.61 -36.08 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.25 -29.61 70.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.26 -12.73 61.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -173.9 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.483 HG11 ' CH2' ' A' ' 80' ' ' TRP . 34.0 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.05 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -165.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -70.89 -175.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD21 ' H ' ' A' ' 72' ' ' LEU . 5.6 mp -120.76 78.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -175.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.457 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -73.64 158.42 86.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.571 0.7 . . . . 0.0 111.112 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.0 Cg_endo -69.28 -28.32 27.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.271 176.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HA ' HD23 ' A' ' 48' ' ' LEU . 76.9 mm-40 -78.8 -32.17 46.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 70' ' ' PHE . 59.9 tp -74.98 -47.14 30.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 95.3 mt-10 -54.83 -40.47 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -176.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.52 HD21 ' HH2' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -59.28 -28.16 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.053 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 46' ' ' LEU . 91.8 t80 -67.82 -53.28 28.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 64.7 pttt -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -57.29 -33.65 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.811 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.89 -47.17 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.2 -15.85 62.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.797 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.56 28.44 65.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.405 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 50' ' ' LYS . 97.0 mt -63.75 133.24 29.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 0.0 111.093 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.58 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 70.4 p -111.95 161.63 24.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 38.8 Cg_endo -65.84 -8.87 20.99 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.662 2.241 . . . . 0.0 112.264 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.22 -31.71 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -119.08 16.5 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.99 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -69.07 -46.87 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.56 -32.87 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -76.46 -32.64 58.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.74 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.3 p -68.88 -15.38 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -86.33 -48.16 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -88.62 13.59 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -172.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 t30 56.31 59.84 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.3 t30 63.74 34.41 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' HB3' HD11 ' A' ' 46' ' ' LEU . 90.7 m-85 50.49 39.63 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 3.0 tppp? -80.2 86.52 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 178.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 11.3 mt -121.77 147.94 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -176.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.864 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -134.34 146.35 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -178.146 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t -171.64 156.07 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.9 t0 -144.42 115.3 7.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 161.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.94 21.22 4.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 75' ' ' ASP . 96.7 mt-10 -139.32 -175.71 4.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -174.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.76 149.69 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 83.9 t -92.33 129.85 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.483 ' CH2' HG11 ' A' ' 38' ' ' VAL . 40.7 p90 -129.56 171.76 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 174.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.17 126.49 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.864 ' HB2' HD11 ' A' ' 73' ' ' LEU . 42.3 tt0 -57.29 135.82 56.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -178.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.47 -23.87 17.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -98.38 33.81 2.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 88' ' ' ILE . 98.3 mt-10 -62.9 -25.37 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -71.16 -14.62 62.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.496 ' HA ' ' HD2' ' A' ' 90' ' ' LYS . 62.0 m170 -99.83 20.68 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 85' ' ' GLU . 97.2 mt -106.02 143.05 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.23 19.08 79.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.472 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 62.2 mtpt -78.42 176.53 9.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 176.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -110.89 51.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 93' ' ' PRO . 2.3 pp -107.96 158.86 32.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 92' ' ' LEU . 58.8 Cg_endo -71.32 175.17 9.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 176.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . 95.8 mt -70.05 -21.69 63.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.2 -30.75 50.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -124.88 30.28 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' A' ' 94' ' ' LEU . . . -73.47 124.66 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -108.91 45.63 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.54 156.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -149.35 163.58 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -101.4 147.48 26.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.52 ' HH2' HD21 ' A' ' 48' ' ' LEU . 8.4 m95 -55.32 -30.11 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 172.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.94 -26.8 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -80.39 -41.04 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.0 -52.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.19 -48.72 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.74 -41.93 98.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -62.19 -42.86 99.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.3 -43.75 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.75 -35.15 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.73 -25.33 68.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -177.763 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.767 0.317 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -87.14 154.43 20.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.15 173.78 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -161.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.1 mm? -76.54 74.72 3.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.2 p -84.76 155.41 61.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 111.128 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -62.75 -27.9 75.91 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.787 2.325 . . . . 0.0 112.367 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -69.96 -46.2 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.03 -30.89 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' ' 70' ' ' PHE . 6.1 mp -79.44 -35.81 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -70.26 -47.91 59.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.717 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.3 pp -60.69 -28.78 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.472 ' N ' HD12 ' A' ' 48' ' ' LEU . 79.4 t80 -65.34 -59.49 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.19 -29.12 69.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -63.46 -52.65 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.954 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.56 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 tpp -67.44 -30.73 70.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.86 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.97 35.95 11.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.38 115.32 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.97 0.414 . . . . 0.0 111.063 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.467 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 48.5 p -90.44 158.44 43.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.1 Cg_endo -62.8 -18.28 63.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.74 -44.94 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -115.68 19.93 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -62.2 -43.46 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -62.71 -35.46 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -68.04 -43.08 79.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -71.6 -29.25 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.4 p -73.91 -21.93 59.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -70.39 -40.63 73.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.75 ' HB ' HD11 ' A' ' 72' ' ' LEU . 76.9 p -105.25 9.63 33.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -166.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.5 t30 54.58 56.77 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.4 t30 63.3 36.62 11.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.405 ' C ' HD12 ' A' ' 72' ' ' LEU . 98.8 m-85 53.17 47.48 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -177.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 16.1 tppt? -95.37 73.16 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.75 HD11 ' HB ' ' A' ' 67' ' ' THR . 3.5 mp -126.93 144.45 51.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -131.42 155.32 47.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -175.026 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 t -168.56 156.05 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -176.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -150.23 96.97 2.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 163.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.15 25.98 70.04 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.402 -174.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 94.8 mt-10 -139.46 -176.72 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.444 ' HD1' ' HB3' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -58.51 151.27 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 170.088 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' TRP . 52.9 t -104.66 120.3 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 175.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -131.67 153.68 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.63 124.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.664 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.5 tt0 -57.5 127.51 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.42 -16.47 61.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 170.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -102.02 24.48 9.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.08 -26.85 63.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 165.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -65.95 -16.48 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -106.43 10.58 31.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -120.71 147.3 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.74 5.72 77.6 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -169.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -92.95 165.51 12.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.683 0.278 . . . . 0.0 110.868 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 11.4 pm0 -80.1 57.78 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.48 142.84 25.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.8 176.25 3.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.635 2.223 . . . . 0.0 112.377 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.5 -23.61 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.41 -45.47 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -80.5 -21.86 41.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.68 135.23 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -106.33 28.15 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 172.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.34 143.78 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' VAL . 19.8 m-90 -142.14 169.07 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -93.3 153.68 18.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -56.77 -33.98 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.92 163.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.65 -38.78 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.28 -45.03 93.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.67 -44.36 85.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.49 -48.92 78.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -74.7 -29.99 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.24 -45.38 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.7 -35.79 75.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.0 -26.38 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -97.35 134.33 40.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 165.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -84.08 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -160.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.527 HD12 HD21 ' A' ' 46' ' ' LEU . 2.9 mm? -73.27 76.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 176.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.2 p -86.05 149.77 51.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.079 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.76 -27.73 81.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -70.45 -53.13 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.11 -34.31 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 HD12 ' A' ' 41' ' ' LEU . 87.4 mt -80.88 -41.23 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -173.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.23 -42.84 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -65.35 -27.25 68.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -67.8 -57.93 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.94 -27.24 68.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.19 -53.71 40.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.26 -37.17 80.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.6 tpp -70.1 -28.97 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.46 21.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.565 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.1 mt -75.56 117.42 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.472 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.4 p -93.66 158.91 35.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.637 0.732 . . . . 0.0 111.152 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -62.46 -13.64 34.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -80.64 -34.32 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -118.46 18.72 13.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.79 -48.45 74.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -63.01 -27.7 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.43 -40.85 73.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -73.99 -22.91 59.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.55 95.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 172.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.8 p -73.67 -25.37 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -69.1 -42.79 75.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.1 p -106.22 15.02 26.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -168.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.6 t30 54.75 60.28 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 65.17 34.55 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 50.45 43.44 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.32 66.59 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 75.8 mt -87.64 129.4 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.2 mt -123.33 155.87 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -159.48 150.29 19.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -146.75 89.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.814 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.54 21.35 62.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.409 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.79 -177.43 5.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.621 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.48 143.42 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 169.363 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 96.6 t -76.55 129.43 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -121.27 156.72 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -83.44 124.99 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -43.08 134.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.97 57.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.13 40.12 2.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.2 pm0 -59.93 -18.8 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.64 -34.72 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -85.39 -13.14 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -170.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.4 121.77 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -4.3 67.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.494 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.34 109.89 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.815 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -98.49 107.01 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.97 156.53 37.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.62 63.66 7.34 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.4 mt 57.7 28.65 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.82 -58.27 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.828 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -124.27 26.37 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.49 118.68 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -134.98 37.2 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.56 150.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -174.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -138.75 139.92 38.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 94.4 p -76.65 150.84 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -171.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -60.54 -30.44 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.56 -39.08 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.81 -45.23 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 98.1 mt -59.64 -43.89 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -65.09 -37.35 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.77 -40.83 96.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -72.8 -34.67 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.38 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -67.63 -34.24 76.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.86 -30.52 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 173.677 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -95.77 160.89 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.6 pt-20 -81.56 173.36 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -164.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.568 HD11 HD23 ' A' ' 73' ' ' LEU . 9.2 mp -108.63 104.56 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 175.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 69.2 p -91.87 157.92 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.4 Cg_endo -61.75 -28.99 82.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 174.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.42 -42.49 71.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 174.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -66.53 -38.35 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.09 -38.78 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.16 -46.74 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.1 pp -65.65 -24.16 66.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.406 ' N ' HD12 ' A' ' 48' ' ' LEU . 91.3 t80 -63.67 -57.58 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.5 -30.6 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.03 -49.18 71.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.82 73.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.4 tpp -65.54 -27.44 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.26 31.12 39.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -72.33 120.96 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 111.096 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.498 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.7 159.39 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 111.2 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 31.2 Cg_endo -60.83 -17.42 50.4 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -69.34 -48.22 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -111.15 22.97 14.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.96 -45.23 74.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -67.96 -27.53 66.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.43 -47.62 59.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.956 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -64.94 -33.09 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.03 90.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -75.91 -37.16 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -101.56 17.12 23.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -168.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 51.16 60.15 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 65.06 35.44 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.26 29.37 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -92.95 104.52 16.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 3.5 mp -131.49 145.05 51.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 41' ' ' LEU . 41.2 mt -120.07 156.22 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 79' ' ' VAL . 10.6 t -167.77 154.26 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 175.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.59 97.78 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.2 23.42 64.14 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.04 -177.06 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -172.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.454 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -61.1 150.62 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 168.855 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 89.7 t -85.01 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.6 p90 -127.56 158.52 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.77 131.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.25 128.48 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.37 -18.15 58.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.427 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -112.57 17.09 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -58.81 -15.5 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 167.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -35.5 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 168.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -74.95 -13.86 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.6 mt -56.21 125.3 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.198 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.06 12.1 66.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.503 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.43 110.39 16.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.904 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.31 103.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.3 mt -122.69 154.38 63.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.678 0.751 . . . . 0.0 110.917 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 166.39 22.95 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.562 2.175 . . . . 0.0 112.373 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.78 -25.32 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -72.37 -42.01 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.96 16.63 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.43 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -133.54 35.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.76 141.65 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.8 m-90 -142.88 146.95 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.872 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -79.05 147.77 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.27 -30.26 66.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 167.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -70.5 -33.37 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 174.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.87 -46.58 77.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.85 -41.61 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.04 -44.75 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 111' ' ' GLU . 98.0 m-20 -62.66 -36.04 81.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.819 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -67.91 -37.82 82.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 112' ' ' LEU . 96.1 mt -68.4 -33.12 73.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.02 -30.07 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 76.2 mm-40 -70.46 -29.23 65.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 109' ' ' LEU . 94.9 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.805 0.336 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 -98.63 152.53 19.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' HG3' HG23 ' A' ' 42' ' ' THR . 25.1 pt-20 -71.96 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -166.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.08 81.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' HG3' ' A' ' 40' ' ' GLU . 63.5 p -82.68 151.52 64.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.503 0.668 . . . . 0.0 111.14 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.11 -27.81 84.73 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -70.12 -42.47 72.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.76 -30.0 66.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.17 -34.9 56.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -70.03 -46.2 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.2 pp -63.72 -26.22 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -177.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.51 -58.64 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.49 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -64.51 -47.46 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.26 94.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -70.18 -21.65 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.7 55.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.08 127.99 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 111.078 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.3 p -103.27 158.35 31.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.598 0.713 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 35.0 Cg_endo -60.9 -14.27 31.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.408 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.25 -37.07 38.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -119.09 19.88 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.22 -46.62 76.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -63.85 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.81 -47.41 75.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.808 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -66.64 -39.23 88.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.32 71.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -79.1 -27.6 42.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -88.98 -30.76 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.454 ' HA ' HG21 ' A' ' 81' ' ' VAL . 72.0 p -90.32 -0.45 57.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.1 t30 57.74 59.64 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.2 t30 63.77 34.04 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 51.4 44.61 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 12.8 tptm -72.24 70.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 170.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 56.0 mt -97.22 137.47 36.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.983 -173.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -133.12 155.87 48.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 175.543 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 13.3 t -160.53 152.75 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -146.72 85.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.777 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 21.73 64.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.42 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -142.18 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -175.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.5 m0 -68.27 149.81 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 173.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 98.0 t -87.33 123.94 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 159.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.477 ' CZ3' ' HA ' ' A' ' 74' ' ' THR . 25.1 p90 -132.46 158.22 42.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -174.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.454 HG21 ' HA ' ' A' ' 67' ' ' THR . 87.6 t -82.97 127.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 172.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.723 ' HB2' HD11 ' A' ' 73' ' ' LEU . 85.1 tt0 -42.34 127.26 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.14 46.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.486 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -116.45 37.6 3.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.5 mp0 -61.08 -20.89 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 171.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -72.98 -4.01 29.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -107.79 12.52 27.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.925 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' A' ' 80' ' ' TRP . 87.7 mt -89.33 120.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.83 -14.93 64.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.98 172.31 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -117.42 105.65 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 96.9 mt -115.46 93.23 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 110.929 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 57.9 Cg_endo -65.66 -19.49 59.81 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.29 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.56 169.43 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -73.4 -4.86 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.31 -15.81 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.967 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.89 133.4 42.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.166 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -131.66 33.69 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.2 140.15 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -141.39 151.69 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 86.1 p -78.04 152.4 33.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -58.55 -33.7 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 170.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.69 -38.27 86.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -64.47 -45.75 86.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.02 -42.5 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.17 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -72.13 -37.74 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.61 -33.62 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.7 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.01 -20.95 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.5 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.3 pp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -175.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 73' ' ' LEU . 7.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.2 mmm-85 -93.22 142.87 26.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -75.41 179.45 5.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -163.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.63 HD22 ' HE2' ' A' ' 71' ' ' LYS . 5.4 mp -110.45 82.93 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 70.7 p -74.18 157.41 86.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.8 Cg_endo -62.91 -22.41 73.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 173.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -78.78 -43.48 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.16 -37.01 77.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 HD23 ' A' ' 41' ' ' LEU . 82.2 mt -71.07 -40.73 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.88 -41.11 68.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.622 HD12 ' C ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -67.15 -23.69 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.07 -58.75 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -65.34 -26.42 68.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.95 -47.69 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.819 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.18 90.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 mmt -82.28 -13.37 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.3 38.36 91.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.498 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.4 124.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 111.095 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.1 p -100.68 158.08 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.4 Cg_endo -60.16 -19.34 56.37 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.627 2.218 . . . . 0.0 112.327 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -69.33 -46.98 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.41 20.73 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -64.61 -51.25 63.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.852 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -64.51 -27.46 68.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.02 -43.16 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -68.78 -37.87 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.39 68.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -67.06 -47.31 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -80.31 -25.98 39.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.991 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -91.41 4.84 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.4 t30 53.63 58.22 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 65.12 35.17 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 50.22 39.69 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.63 ' HE2' HD22 ' A' ' 41' ' ' LEU . 3.1 mmpt? -89.25 71.66 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 172.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.533 ' N ' HD21 ' A' ' 41' ' ' LEU . 70.0 mt -88.9 135.89 33.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD22 HG21 ' A' ' 38' ' ' VAL . 65.1 mt -119.7 151.54 38.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -155.99 145.28 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -152.94 84.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 17.93 60.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -139.76 -178.95 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -176.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.586 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.49 143.52 53.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 172.366 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' TRP . 88.8 t -69.14 133.51 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.238 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -126.6 157.0 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.72 125.47 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.81 129.99 35.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.25 -12.86 55.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.7 38.06 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -62.32 -19.36 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -72.0 -7.87 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -107.87 10.13 28.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -80.96 126.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.64 8.13 77.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.555 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -98.75 149.76 22.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.685 0.278 . . . . 0.0 110.889 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -100.17 91.35 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -112.83 146.34 34.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -57.55 149.94 63.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.9 -32.51 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -74.8 -29.86 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -111.44 13.33 21.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.97 129.28 43.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -95.19 36.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 168.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.62 144.72 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.3 m-90 -136.44 146.28 46.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 16.6 t -70.87 145.47 50.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -61.38 -30.41 70.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -36.38 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.74 -44.47 93.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.11 -45.11 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.68 -38.82 92.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.84 -39.34 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -67.51 -39.3 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.483 HD11 HD13 ' A' ' 48' ' ' LEU . 85.8 mt -67.9 -33.19 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.03 -30.63 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.33 -34.21 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 174.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 177.51 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.768 0.318 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -82.62 149.97 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -88.06 177.4 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -164.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mp -103.01 97.31 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -174.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 p -107.91 155.37 40.08 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.181 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -60.14 -29.12 88.42 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.99 -45.04 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HA ' HD23 ' A' ' 48' ' ' LEU . 96.5 mt-10 -76.08 -29.24 57.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -75.27 -35.12 61.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.19 -53.04 34.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.629 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -56.21 -24.83 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -69.98 -58.95 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -68.82 -30.66 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.42 -47.8 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.0 tpp -69.56 -24.75 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.82 36.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.589 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.44 125.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -97.28 158.78 32.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 111.154 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -61.83 -17.87 57.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.751 2.301 . . . . 0.0 112.432 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.76 -46.91 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -113.57 23.14 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -65.96 -43.11 88.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -66.4 -33.23 75.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -66.54 -41.1 89.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -74.23 -36.06 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.88 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.1 p -71.3 -30.55 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -89.75 -30.78 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -88.05 10.21 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 t30 49.45 54.68 10.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 66.49 35.79 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 51.46 35.47 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -84.58 96.9 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 172.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 mt -117.81 132.18 56.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -166.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.1 mt -114.74 153.56 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -168.08 155.54 8.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -153.71 96.3 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.46 20.52 23.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -140.46 -178.09 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -57.85 152.31 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 172.644 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.28 135.25 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -128.34 159.64 34.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -87.92 127.09 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.09 127.56 29.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.13 -18.71 55.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -111.18 20.13 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.92 -21.51 63.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.876 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -92.79 1.28 57.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -114.53 5.58 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.9 pt -111.06 157.81 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 -177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.61 10.52 85.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 -172.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -104.18 166.78 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 12.2 pm0 -83.51 57.6 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.96 153.91 37.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.02 -178.3 2.0 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.776 2.318 . . . . 0.0 112.251 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -76.47 -19.26 58.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.58 -35.99 45.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -99.42 14.85 28.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.07 142.14 38.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.12 23.36 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.95 147.18 9.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -144.61 155.53 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -91.35 148.02 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -174.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -57.16 -27.64 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.85 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -81.41 -42.96 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.8 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.03 -44.81 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.27 -39.5 78.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -58.97 -46.95 86.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -76.0 -35.67 59.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.3 -43.43 88.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.13 -28.41 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -57.31 -30.15 64.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 112' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.907 0.384 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -89.93 143.47 26.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -100.57 170.4 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -160.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD11 ' H ' ' A' ' 72' ' ' LEU . 1.8 mm? -76.82 79.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 60.2 p -79.21 158.56 74.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 111.186 167.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.4 Cg_endo -61.69 -25.9 79.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.296 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.52 -43.27 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -76.49 -28.93 56.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.45 -53.22 7.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.24 -37.43 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -171.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.639 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -66.47 -26.3 67.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -176.323 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -69.07 -57.27 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -64.12 -27.53 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -66.05 -46.23 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 174.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.41 67.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 tpp -67.78 -24.97 65.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.4 38.69 17.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.445 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.09 132.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.15 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -123.43 156.02 64.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.64 0.733 . . . . 0.0 111.185 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 60' ' ' TYR . 52.5 Cg_endo -66.85 -15.13 46.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.02 -48.35 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.15 26.26 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.482 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 92.3 t80 -63.52 -46.38 86.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.426 ' CE2' ' HG3' ' A' ' 62' ' ' GLN . 57.7 p-90 -65.55 -33.14 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' HG3' ' CE2' ' A' ' 61' ' ' TRP . 88.5 mt-30 -63.88 -48.07 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.031 174.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.3 -38.46 90.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.61 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -81.27 -32.88 33.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -89.48 -29.21 19.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.958 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 p -90.34 11.98 19.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 50.4 63.35 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.867 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.3 t30 59.78 36.15 22.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 54.06 37.3 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -95.62 91.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.539 ' H ' HD11 ' A' ' 41' ' ' LEU . 32.1 mt -108.23 137.57 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' A' ' 74' ' ' THR . 70.3 mt -128.02 151.38 49.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 73' ' ' LEU . 15.1 t 179.55 166.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 167.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -145.87 105.92 4.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.78 20.88 62.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.28 -178.12 5.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 -175.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -59.87 148.4 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 169.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' TRP . 91.5 t -79.24 137.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.064 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -131.13 160.77 33.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.62 131.13 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.4 134.08 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -1.54 86.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -123.09 31.47 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -58.6 -21.69 54.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 165.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.39 -30.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -94.85 38.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -106.59 128.18 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.14 26.32 58.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.434 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.26 169.43 10.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 178.297 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -101.67 35.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.509 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 70.5 mt -100.09 153.5 37.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.873 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.5 171.94 14.31 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.297 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.97 -30.11 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.03 -41.4 82.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -96.85 18.62 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.86 52.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -93.98 47.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 170.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.99 137.69 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' VAL . 4.3 m-90 -133.67 161.32 34.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.92 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 94.0 p -91.59 152.24 20.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.4 ' HZ3' HD11 ' A' ' 48' ' ' LEU . 9.9 m95 -59.28 -32.78 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 171.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.37 -36.08 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.987 0.422 . . . . 0.0 110.924 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.98 -44.44 89.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.42 -39.62 83.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -65.33 -37.85 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -70.8 -37.9 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.36 -35.81 82.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.85 -32.53 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.9 -20.67 62.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.973 177.006 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.511 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 70.0 m -145.53 80.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 165.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -61.61 -13.35 21.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -165.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.597 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 96.9 mt-10 -136.6 67.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 168.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.687 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 82.8 tttt 159.06 59.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.564 ' HG2' ' HG3' ' A' ' 35' ' ' GLU . 87.7 tt0 -165.71 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 96.5 mt-10 -130.04 139.65 50.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -120.96 42.22 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 169.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.97 155.39 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -158.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.18 -176.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -75.49 138.12 41.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -83.01 -179.4 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -164.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 71' ' ' LYS . 34.9 mt -123.0 74.7 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -168.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 71.1 p -90.85 155.37 45.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.107 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.53 -17.11 58.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -86.29 -46.02 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.01 -38.65 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.1 mt -66.93 -23.94 66.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -171.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 94.6 mt-10 -60.91 -30.66 70.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -176.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -63.57 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -177.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.31 -59.22 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 63.5 pttt -64.28 -26.0 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -63.21 -48.44 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.8 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.417 ' HB2' HG13 ' A' ' 55' ' ' ILE . 22.3 mmt -76.2 -16.26 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.57 36.09 75.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 53' ' ' MET . 97.2 mt -71.34 129.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.108 -171.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.512 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 36.7 p -98.06 159.93 29.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.7 Cg_endo -60.03 -18.81 52.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.365 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.3 -50.62 30.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -105.8 21.09 17.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 74.5 t80 -63.57 -54.29 38.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -63.22 -30.37 71.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.91 -45.48 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -71.08 -37.97 72.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.71 -27.65 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -75.35 -54.69 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -63.98 -26.62 68.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -96.63 2.62 52.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.6 t30 54.13 60.94 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 t30 66.49 35.75 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.422 ' O ' HD22 ' A' ' 46' ' ' LEU . 81.7 m-85 52.6 35.33 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HB3' HD13 ' A' ' 41' ' ' LEU . 67.1 mmtt -98.18 98.46 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB3' HG12 ' A' ' 79' ' ' VAL . 4.3 mp -128.66 129.23 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.0 mt -97.03 150.13 21.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -170.53 170.92 6.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 63.8 t0 -151.86 81.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 174.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.12 26.7 67.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 75' ' ' ASP . 12.7 pt-20 -147.78 -169.57 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -172.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 80' ' ' TRP . 32.7 p-90 -51.78 140.73 18.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 72' ' ' LEU . 57.7 t -101.89 144.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 78' ' ' TRP . 45.6 p90 -135.41 156.0 49.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.84 132.22 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.56 125.69 22.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.36 -11.67 65.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.25 7.03 15.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HA ' HG12 ' A' ' 88' ' ' ILE . 22.2 pm0 -63.33 -14.87 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 169.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -81.11 -14.05 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 171.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -108.03 27.77 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.477 HG12 ' HA ' ' A' ' 85' ' ' GLU . 51.1 mm -99.08 140.07 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.11 13.27 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -106.25 159.46 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -83.59 84.43 7.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 87.6 mt -118.28 142.08 30.64 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.961 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.59 176.31 5.15 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.72 -31.38 72.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.61 -30.98 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 99.8 mm-40 -102.88 -8.76 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.21 137.65 56.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -135.94 30.57 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.17 141.04 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -140.84 159.02 43.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -87.47 153.14 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -54.9 -30.43 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 168.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.47 -39.3 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.94 -41.43 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.7 -47.19 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -68.8 -32.23 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -55.52 -50.21 70.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -73.21 -37.46 66.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 tp -64.82 -39.34 93.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.8 -31.65 72.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.15 -30.21 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.877 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.4 mt -73.76 -30.82 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -73.04 130.11 39.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -177.835 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 95.3 p -83.05 -94.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.818 -149.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' ' 30' ' ' SER . 69.5 mm-40 52.33 -108.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -152.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' O ' ' A' ' 30' ' ' SER . 20.4 tp10 87.53 143.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 138.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.694 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 43.8 tptt -150.8 60.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 164.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.694 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 85.1 tt0 141.99 47.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 154.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 18.2 tp10 -174.8 130.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 168.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.56 27.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -163.75 134.93 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.5 -178.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 162.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -102.62 140.29 37.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -79.1 176.74 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -164.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.3 mp -83.69 91.59 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.8 p -95.15 153.17 39.8 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.683 0.754 . . . . 0.0 111.052 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -58.49 -28.33 85.08 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.529 2.153 . . . . 0.0 112.43 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.9 -49.01 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.39 -27.54 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.88 -39.65 16.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.81 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -65.25 -25.6 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.75 -59.21 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 55' ' ' ILE . 65.7 pttt -65.45 -26.96 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.75 -44.07 91.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.52 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -76.16 -13.21 60.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.54 32.99 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.538 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 50' ' ' LYS . 88.5 mt -75.15 124.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -171.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -102.89 158.79 31.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.7 0.762 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.5 Cg_endo -59.99 -17.69 46.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.773 2.315 . . . . 0.0 112.31 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.75 -42.14 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -117.76 20.35 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -65.37 -50.11 66.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -61.95 -28.42 69.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.37 -46.13 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -66.62 -35.87 81.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.03 69.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.2 m -74.25 -40.95 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -83.47 -27.05 29.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.801 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -91.23 4.35 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 t30 53.54 58.14 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 64.84 34.12 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 52.71 38.44 26.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -87.17 93.74 9.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -119.81 132.24 55.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -168.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -113.96 153.34 29.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 172.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -162.26 159.28 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -154.45 85.45 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 171.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.86 15.05 33.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -135.66 -127.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -173.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.7 m0 -75.39 145.37 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 171.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 98.7 t -93.52 116.65 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 159.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -124.18 158.26 32.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -170.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.1 t -84.18 127.06 40.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -49.61 126.6 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.96 -11.7 45.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.77 37.48 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.944 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.4 mp0 -52.98 -23.27 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.83 -42.29 98.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -80.25 -11.9 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -168.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.62 125.85 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.21 18.74 56.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.425 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 163.71 16.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -104.97 105.57 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -116.12 88.1 21.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.76 -16.81 33.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.62 2.213 . . . . 0.0 112.409 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.51 179.62 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.84 -4.99 22.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.55 -10.45 59.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 132.28 22.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -132.73 17.36 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.15 143.21 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.5 m-90 -139.29 161.48 37.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 27.4 t -89.4 149.62 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -57.62 -31.94 66.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 166.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -71.5 -34.3 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -67.58 -43.32 80.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.8 -42.61 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -63.74 -39.43 94.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.55 -34.32 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -67.83 -41.43 83.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.83 -34.49 78.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.52 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.16 -29.18 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.42 -39.05 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -94.96 92.33 6.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.675 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -70.01 106.93 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.832 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -164.7 -88.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -67.3 132.72 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -155.77 124.59 6.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -158.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -128.26 145.18 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -137.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.95 104.1 14.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 165.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.45 60.09 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -162.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.79 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -74.38 80.79 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 175.414 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 30.3 m -158.17 178.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 -165.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -91.28 159.17 16.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.745 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 42' ' ' THR . 24.4 pt-20 -75.51 -179.3 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -165.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 5.8 mp -111.56 81.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 40' ' ' GLU . 64.1 p -79.32 154.9 76.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 111.188 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.88 -27.36 80.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.23 -46.74 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.39 -32.6 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.6 -42.81 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.689 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.7 pp -64.45 -28.52 69.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' N ' HD12 ' A' ' 48' ' ' LEU . 70.8 t80 -66.54 -56.39 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.26 -28.44 69.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -66.36 -51.59 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.32 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.7 tpp -68.21 -28.33 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.23 33.61 22.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.489 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.5 mt -77.89 127.92 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' TYR . 44.8 p -112.05 160.03 31.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.519 0.676 . . . . 0.0 111.194 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -59.26 -14.18 23.2 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.756 2.304 . . . . 0.0 112.418 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.02 -38.67 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -115.99 17.8 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' THR . 90.7 t80 -64.72 -48.55 74.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -62.19 -29.7 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -67.99 -44.47 76.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -72.6 -25.64 61.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.47 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -80.88 -23.58 38.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.809 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -71.34 -46.96 59.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -96.23 11.35 34.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.3 t30 52.01 60.51 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 67.71 35.35 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 51.47 42.93 29.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.751 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 10.1 mmpt? -82.51 52.96 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.829 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.517 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 87.4 mt -75.13 139.54 42.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -139.08 156.41 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 177.395 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 t -166.58 155.41 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.0 t0 -145.55 91.42 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.69 22.88 66.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.49 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -140.98 -177.12 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -58.95 153.26 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 166.635 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.517 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 99.1 t -86.84 139.17 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -135.11 156.82 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.4 t -81.92 130.61 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.645 ' HB2' HD11 ' A' ' 73' ' ' LEU . 89.1 tt0 -46.68 129.65 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 172.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.72 -19.31 55.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.74 35.41 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.93 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -17.27 51.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 160.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.61 -18.04 50.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 167.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 63.0 m170 -115.11 41.77 2.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -172.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.67 117.32 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.16 18.33 59.42 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 8.4 mptt -107.72 140.22 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -85.07 85.41 7.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.99 152.08 48.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.022 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ALA . 59.8 Cg_endo -71.25 162.09 43.62 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.737 2.291 . . . . 0.0 112.369 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.4 -29.77 66.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.55 -38.63 77.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -101.18 7.85 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -82.16 141.75 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.84 35.74 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.01 142.89 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -141.95 151.35 42.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.988 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.9 p -84.29 151.47 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.844 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -58.74 -30.25 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 170.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.62 -35.62 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -64.63 -48.16 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.6 mt -57.34 -42.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.33 -40.41 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.28 -39.69 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -72.01 -34.6 68.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.88 -32.78 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.76 -34.25 77.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.73 -21.06 64.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.66 -3.56 56.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.1 36.09 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -178.186 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.0 t 177.83 103.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -164.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -162.23 149.78 14.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.888 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 63.0 mt-10 -93.22 -169.94 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 170.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.84 -68.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.47 -58.67 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -121.92 118.92 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 32' ' ' GLU . 54.4 pttt -117.65 28.85 8.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -168.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 38' ' ' VAL . 22.2 ptmt -121.73 -27.49 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -176.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 HD23 ' A' ' 73' ' ' LEU . 30.2 m -154.54 177.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -99.91 155.54 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 162.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 42' ' ' THR . 25.4 pt-20 -70.0 169.83 12.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -162.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD11 ' HG ' ' A' ' 73' ' ' LEU . 10.9 mp -112.2 84.94 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 40' ' ' GLU . 53.5 p -81.45 155.29 71.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.169 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -61.36 -27.46 82.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -71.33 -39.73 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -68.8 -33.96 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.62 -37.01 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.85 -48.93 69.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.7 pp -64.34 -23.96 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' A' ' 53' ' ' MET . 82.9 t80 -68.09 -61.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 174.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -63.47 -25.11 68.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.11 -56.37 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.67 91.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 49' ' ' PHE . 98.0 mmm -76.13 -7.03 53.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.03 44.53 23.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.422 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.71 127.18 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.185 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.1 p -115.99 156.82 46.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.184 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.21 -18.72 61.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.85 -36.19 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -109.29 22.64 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.31 -51.08 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -76.22 -28.63 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.96 -46.23 85.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.836 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -70.3 -41.9 72.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.74 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -69.52 -48.38 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -77.35 -24.62 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.88 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -94.97 4.47 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.1 t30 50.4 62.7 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.1 t30 64.66 36.69 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 55.45 39.65 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HE3' HD22 ' A' ' 41' ' ' LEU . 37.8 tptt -107.35 104.69 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 175.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.66 150.06 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.462 HD23 HG21 ' A' ' 38' ' ' VAL . 4.3 mp -124.95 156.8 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.447 ' HB ' HG22 ' A' ' 79' ' ' VAL . 8.8 t -150.01 139.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -175.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 58.7 t0 -144.04 83.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.62 24.61 66.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.02 -173.73 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.852 -176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.74 152.29 19.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 175.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 74' ' ' THR . 70.4 t -84.07 125.32 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -114.52 152.63 31.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.5 135.23 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.73 132.06 40.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.75 63.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.75 31.1 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.889 0.375 . . . . 0.0 110.995 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -61.25 -19.77 62.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.18 -33.27 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -81.97 -5.13 58.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 125.08 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.37 12.87 62.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -118.88 146.97 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.624 0.249 . . . . 0.0 110.899 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -97.13 98.35 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.46 148.02 35.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.935 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.49 161.34 46.39 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.367 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.5 -30.37 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.77 -30.59 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -120.6 26.2 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.01 137.33 40.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.6 27.16 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 174.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.95 145.7 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -140.02 144.69 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.5 p -75.58 150.99 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -60.49 -30.82 69.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 170.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.44 -40.03 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.16 -45.89 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.04 -42.2 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -65.66 -38.55 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.41 -36.78 78.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -77.15 -34.46 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.81 -34.05 77.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.83 -30.97 71.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.51 -7.93 55.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -107.61 19.09 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -80.77 70.21 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -153.54 -46.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.49 -11.25 14.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 164.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.521 ' O ' ' HA2' ' A' ' 29' ' ' GLY . 72.7 mm-40 -128.58 -178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 176.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -108.52 97.06 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 151.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -153.28 -178.98 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -167.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -108.78 141.89 40.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.18 33.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -75.54 126.09 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -175.32 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 33.8 m -134.0 176.39 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -171.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -93.24 148.53 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.3 pt-20 -75.31 178.1 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -164.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.2 mp -105.67 99.54 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 71.2 p -88.64 158.25 48.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.693 . . . . 0.0 111.188 175.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 38.3 Cg_endo -61.82 -29.24 82.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 174.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -71.73 -41.34 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.71 -35.81 77.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.71 -39.5 26.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.72 -41.75 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.5 pp -66.71 -25.16 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.453 ' N ' HD12 ' A' ' 48' ' ' LEU . 90.6 t80 -66.22 -59.14 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.64 -27.77 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.63 -43.82 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.81 76.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.411 ' HB2' HG13 ' A' ' 55' ' ' ILE . 25.4 mmt -76.08 -21.59 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.883 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.42 64.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' A' ' 53' ' ' MET . 98.5 mt -65.05 117.83 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 111.086 -169.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 69.0 p -88.09 160.11 46.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.522 0.677 . . . . 0.0 111.174 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 45.8 Cg_endo -62.76 -13.11 32.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.38 -39.61 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.2 20.05 15.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -65.02 -49.15 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE2' ' HG3' ' A' ' 62' ' ' GLN . 55.2 p-90 -63.3 -31.94 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 61' ' ' TRP . 88.8 mt-30 -65.76 -48.97 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -65.98 -31.52 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -29.86 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.026 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -82.82 -31.0 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -174.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -87.94 -29.17 21.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.8 p -88.15 7.79 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 49.85 65.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 63.86 33.44 12.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 54.94 33.34 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -95.68 98.87 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mp -124.81 146.63 49.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -130.79 157.3 43.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.8 t -167.84 155.85 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.5 t0 -142.53 93.91 2.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 24.63 62.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -145.87 -170.37 3.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -171.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -64.22 150.71 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 174.356 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.78 136.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -129.68 160.82 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.85 133.78 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.661 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.8 tt0 -53.89 131.4 39.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.56 -14.79 62.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.56 40.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.979 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.2 mp0 -56.76 -26.29 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -65.01 -4.44 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 173.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -116.5 21.68 13.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 89.0 mt -103.78 115.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.33 -14.23 63.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 10.2 mptt -81.51 -179.83 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -136.06 62.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.51 154.61 48.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.974 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.28 159.61 51.47 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.747 2.298 . . . . 0.0 112.362 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -47.5 -42.08 22.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.99 -37.89 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -104.58 14.8 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.07 137.96 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.25 39.3 3.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.23 139.3 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -137.61 165.76 25.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 167.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.56 -34.34 74.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -67.79 -43.72 79.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.87 -43.95 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -64.96 -39.14 93.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -73.31 -36.13 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.82 -31.37 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.29 -34.13 72.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.66 -26.41 65.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.4 pp -109.16 1.45 20.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -66.32 -31.48 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 p -136.79 84.45 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -136.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -76.98 48.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 167.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -169.07 130.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -77.93 -69.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -162.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.92 166.92 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.91 8.55 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 63.69 28.23 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -139.97 5.22 2.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.956 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 m -158.99 172.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -162.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -88.56 145.81 25.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.71 171.36 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -88.27 97.04 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 172.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -92.61 151.2 40.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -60.57 -27.75 85.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.249 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -69.45 -53.47 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.31 -31.98 73.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 41' ' ' LEU . 84.6 mt -80.25 -43.24 21.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -175.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.82 -42.4 73.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.572 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.0 pp -65.06 -25.27 67.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -69.72 -58.16 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -65.49 -27.11 68.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.64 -51.67 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.019 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.57 -13.49 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.81 39.25 97.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.3 mt -70.91 120.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.199 -171.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.18 158.43 32.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.7 Cg_endo -62.49 -12.99 30.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -83.39 -26.35 30.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -127.78 18.6 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.71 -46.84 83.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -62.08 -27.26 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.67 -44.19 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -72.74 -27.73 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.56 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -72.33 -45.29 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -95.21 16.88 15.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 49.8 59.35 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.978 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.4 t30 64.1 34.83 10.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 51.79 43.94 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.7 mmmm -95.28 73.16 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.1 mt -89.31 131.03 35.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.9 mt -118.77 154.58 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -157.62 154.28 28.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.18 89.56 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.84 63.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -147.59 -168.26 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.468 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 0.5 OUTLIER -57.75 161.31 3.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 169.357 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.85 130.36 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -123.71 154.48 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.14 130.87 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.39 127.88 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.03 -13.6 57.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.638 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -119.36 19.97 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -60.55 -18.39 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.27 -37.77 75.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -80.75 -6.64 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -171.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.16 125.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.62 59.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.444 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 140.02 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -88.59 92.59 9.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.66 132.76 20.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.708 0.766 . . . . 0.0 110.845 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.91 56.1 5.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.452 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 80.4 mt 54.31 29.23 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -87.32 -66.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -112.0 18.41 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.74 129.55 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.85 39.2 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.57 139.52 19.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -132.91 131.82 41.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 87.3 p -65.83 150.13 49.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.71 -41.43 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.02 -44.5 92.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.16 -41.5 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.28 -42.97 96.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.807 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.62 -35.16 78.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.88 -39.65 93.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.07 -29.46 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.25 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.26 -14.22 62.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.81 27.26 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -62.47 133.89 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -177.274 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.635 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 97.8 p -104.95 146.89 28.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 158.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.84 75.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 158.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.635 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 20.7 pt-20 -178.15 -167.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.75 34.02 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 160.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 69.6 mm-40 -101.41 171.22 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 157.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.56 120.91 38.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 167.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.26 30.68 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.61 162.81 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -159.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.22 170.28 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -88.69 165.58 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.5 pt-20 -89.97 -177.55 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -173.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.0 mm? -100.78 91.86 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 176.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -96.16 160.09 30.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.142 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.3 Cg_endo -66.82 -32.37 36.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -71.27 -41.12 70.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 75.7 mm-40 -71.1 -37.51 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.7 tt -73.37 -34.29 65.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 88.8 tt0 -59.13 -45.88 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.3 pp -67.04 -27.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -70.13 -53.55 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.5 pttt -68.76 -30.69 69.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -68.54 -43.78 75.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.25 -38.1 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.45 -17.63 64.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 36.92 45.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.99 121.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.107 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 72.6 p -103.23 159.83 28.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.242 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 51.7 Cg_endo -68.12 -12.58 35.56 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.763 2.309 . . . . 0.0 112.228 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -77.53 -33.97 54.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.49 26.64 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.47 -44.7 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.01 -44.8 94.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -71.2 -30.62 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.59 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -71.73 -23.46 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.5 -38.2 49.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -97.62 14.31 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 49.81 64.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.5 t30 62.78 38.01 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 50.18 37.63 15.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HD2' ' HG ' ' A' ' 41' ' ' LEU . 12.9 mmmm -95.77 95.82 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 174.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.55 132.3 48.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -129.47 142.56 50.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -170.337 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.515 HG21 HG22 ' A' ' 79' ' ' VAL . 12.2 t -172.47 157.02 3.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -135.89 115.34 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 169.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 22.29 10.66 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.37 -178.4 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.773 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.49 151.48 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG22 HG21 ' A' ' 74' ' ' THR . 86.1 t -91.43 133.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -128.97 166.94 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -93.64 126.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.32 137.79 28.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.98 -21.94 43.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.87 31.68 4.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.54 -25.08 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.28 -37.89 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 174.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -67.7 -21.61 65.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.06 136.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.46 63.58 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -127.91 121.54 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.24 100.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.41 158.99 35.68 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 111.007 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 96' ' ' GLN . 23.2 Cg_exo -66.35 179.48 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.399 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.57 -27.11 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.55 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.495 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 98.6 mm-40 -119.33 31.98 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.25 119.76 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -104.6 12.39 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.45 150.37 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -145.14 127.74 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -71.57 157.01 38.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -63.73 -33.36 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 174.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.13 -29.26 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -78.37 -42.53 30.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.19 -39.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.148 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 61.6 mtpt -69.45 -35.91 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.51 -39.14 77.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -65.45 -43.49 90.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.02 -46.76 84.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 106' ' ' LYS . 61.5 mtpt -61.09 -36.18 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.92 -21.73 66.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.1 tp -71.26 -26.03 62.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -91.05 95.94 10.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.765 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' C ' ' A' ' 31' ' ' GLU . 47.7 m 65.62 20.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -157.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.598 ' C ' ' O ' ' A' ' 30' ' ' SER . 88.6 tt0 15.9 65.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 -173.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -162.85 -19.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 165.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -162.58 167.23 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -176.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -130.69 32.85 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 170.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.75 148.22 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.37 -19.17 34.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -79.27 137.4 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.08 -178.85 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -93.58 150.51 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -78.86 179.95 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 71' ' ' LYS . 6.6 mp -98.57 75.13 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -71.37 151.04 94.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -59.39 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.576 2.184 . . . . 0.0 112.386 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -68.71 -48.98 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -67.37 -30.1 69.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.8 -43.99 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -67.34 -40.96 85.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.2 pp -68.13 -25.23 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -72.14 -54.11 10.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -64.85 -24.96 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -76.1 -35.27 59.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.04 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -92.54 -18.63 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.43 46.0 57.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 94.3 mt -73.09 125.22 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 111.165 -171.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.496 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.5 p -104.41 159.5 29.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.0 Cg_endo -58.51 -20.84 51.36 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 176.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.49 -48.4 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.47 23.05 14.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.03 -48.08 77.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -72.14 -20.49 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -75.12 -37.21 61.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.96 174.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -78.46 -24.96 45.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.4 p -76.94 -25.94 53.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -71.3 -39.91 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -105.16 12.87 31.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.3 t30 52.36 60.06 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 66.6 35.96 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 53.9 43.13 31.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.9 mmmm -99.3 91.92 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 174.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.7 mt -112.33 131.49 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.3 mt -114.95 154.17 29.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.464 ' HB ' HG22 ' A' ' 79' ' ' VAL . 14.8 t -158.31 150.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -176.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -159.19 86.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.77 23.8 69.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -154.7 -173.13 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.663 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -56.58 137.18 54.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 173.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 74' ' ' THR . 62.6 t -74.78 131.17 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 173.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -126.54 153.97 44.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.0 t -77.23 125.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.159 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.86 133.35 55.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.46 -6.38 33.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -129.04 59.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.993 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.29 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.926 166.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -70.05 -11.05 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -107.29 4.02 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.3 mt -88.82 122.28 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 -8.47 65.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.69 156.67 17.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -178.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -103.35 96.53 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.15 145.46 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.979 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 97' ' ' ALA . 60.3 Cg_endo -68.45 154.4 71.9 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.74 -31.06 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -173.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.67 -41.01 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -109.12 14.28 24.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -79.22 135.24 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.97 28.23 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 166.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 79' ' ' VAL . . . -158.82 135.63 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 176.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -133.74 142.44 47.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 84.5 p -71.99 150.75 43.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.726 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -59.59 -30.37 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.79 -50.07 72.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.53 -43.84 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.82 -48.34 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -70.02 -34.79 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.99 -41.39 99.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -80.05 -32.19 39.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.4 -39.33 81.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.39 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -76.53 -29.88 56.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 173.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.64 36.77 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -158.51 137.34 11.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.441 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 t -102.36 104.64 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.802 -160.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.9 149.38 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 171.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 97.6 mt-10 -101.29 -15.64 17.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 75.9 mmtt 77.28 50.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.54 173.99 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 156.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -101.57 109.6 21.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 171.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -111.96 76.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.07 128.95 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.5 169.15 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.37 172.11 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.3 pt-20 -88.45 173.79 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -169.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD11 ' HG ' ' A' ' 73' ' ' LEU . 9.0 mp -112.65 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -177.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 63.7 p -88.08 160.5 46.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.682 . . . . 0.0 111.174 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.3 Cg_endo -61.26 -28.61 85.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 174.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.68 -39.24 84.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -70.47 -37.42 74.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.24 -37.0 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 96.7 mt-10 -66.39 -48.42 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.6 pp -65.16 -26.97 68.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.61 -56.32 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.7 pttt -64.68 -28.96 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.35 -56.01 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.831 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.52 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.2 tpp -73.15 -18.97 61.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.4 56.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.545 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.63 131.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.066 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 60.0 p -125.7 158.84 63.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 175.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 43.2 Cg_endo -64.45 -14.27 43.25 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -72.24 -30.54 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -132.64 26.48 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -66.68 -38.23 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -68.18 -41.42 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -60.83 -48.73 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' A' ' 67' ' ' THR . 69.6 m95 -66.68 -37.04 83.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 177.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.31 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -82.21 -40.83 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -81.77 -24.87 35.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 63' ' ' TRP . 74.2 p -96.51 8.63 43.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.3 t30 50.39 54.69 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.3 t30 64.41 40.07 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 51.94 37.28 20.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -94.97 95.12 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.76 147.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.845 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -133.4 149.94 51.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -173.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.477 ' HA ' ' CH2' ' A' ' 80' ' ' TRP . 13.1 t -172.64 161.9 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 175.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -137.94 109.95 7.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.07 23.48 39.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.441 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -140.33 -176.75 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.04 153.91 24.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -92.5 126.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 74' ' ' THR . 35.0 p90 -124.08 160.19 28.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.7 t -94.37 123.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.845 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.56 134.95 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.62 -13.49 62.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -110.61 30.61 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 88' ' ' ILE . 62.2 mt-10 -59.71 -25.91 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.979 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.92 -42.11 85.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -72.35 -23.18 61.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.79 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 85' ' ' GLU . 96.2 mt -69.95 139.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.26 -15.17 63.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -168.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -101.28 150.42 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.947 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -90.36 109.18 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -121.56 153.05 59.19 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 121.543 0.687 . . . . 0.0 111.007 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.01 158.82 56.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.1 tp -53.7 -31.36 47.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -66.21 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.419 ' HA ' HH12 ' A' ' 98' ' ' ARG . 98.3 mm-40 -118.28 25.26 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.25 144.06 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.419 HH12 ' HA ' ' A' ' 96' ' ' GLN . 90.6 mmt-85 -131.44 27.73 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.34 155.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -150.86 159.02 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -96.09 147.44 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.86 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -55.52 -29.65 59.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.0 -27.09 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -82.98 -42.47 17.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.99 -45.55 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.42 -40.2 77.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -54.92 -39.32 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -78.56 -34.46 47.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.32 -35.42 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.36 -35.04 76.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.36 -25.98 64.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.33 -28.03 42.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -85.45 98.06 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -178.454 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 93.3 p -90.71 -132.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.813 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 88.6 tt0 -173.54 53.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 155.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' A' ' 33' ' ' LYS . 88.3 tt0 -149.98 -80.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' A' ' 32' ' ' GLU . 97.4 mttt -124.51 175.28 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -96.23 161.85 13.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.6 143.52 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -174.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.17 77.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.25 157.76 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 21.9 m -75.77 168.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.191 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -85.4 147.06 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HG3' HG23 ' A' ' 42' ' ' THR . 24.7 pt-20 -97.69 179.78 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -163.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.785 HD11 ' H ' ' A' ' 72' ' ' LEU . 3.6 mm? -94.44 88.88 5.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 66.7 p -104.64 157.36 34.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.129 172.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.2 Cg_endo -58.24 -29.53 87.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 0.0 112.408 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.72 -44.9 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.77 -30.28 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD21 HD12 ' A' ' 41' ' ' LEU . 91.2 mt -75.73 -40.07 56.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -64.66 -45.85 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.7 pp -65.83 -33.19 75.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.941 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -68.12 -53.82 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.73 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -72.53 -41.04 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 mmt -82.31 -11.42 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.771 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.45 94.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.53 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.27 133.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.0 p -121.13 155.86 57.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.509 0.671 . . . . 0.0 111.153 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.48 -16.34 53.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -70.89 -49.42 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.44 24.56 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.28 -50.83 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -56.07 -33.37 64.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -69.05 -49.95 52.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.989 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -65.54 -37.82 87.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -77.56 -49.92 13.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.804 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -71.95 -23.7 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.9 p -94.34 6.04 49.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.77 56.25 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t30 65.8 35.69 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 53.36 43.24 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 12.7 mmmm -91.37 92.25 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 173.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.785 ' H ' HD11 ' A' ' 41' ' ' LEU . 38.6 mt -114.22 140.26 48.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -122.88 149.42 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -167.9 152.66 6.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 66.8 t0 -154.1 92.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.31 25.08 56.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -155.56 -171.47 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -45.39 152.34 0.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 59.2 t -97.35 132.67 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 167.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -130.35 156.68 44.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -86.32 122.86 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 122.78 15.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.52 -15.9 45.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -113.23 19.57 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -58.08 -21.07 44.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 169.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.03 -48.74 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -77.82 -20.2 53.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 87.8 mt -73.2 138.47 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.27 19.1 36.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.535 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -114.13 161.59 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.02 82.92 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.5 pp -134.82 155.37 79.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.97 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 161.05 47.44 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.79 2.327 . . . . 0.0 112.427 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.51 -23.75 66.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.58 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -118.61 20.64 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.15 141.71 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.33 36.99 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.12 144.69 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -139.28 166.63 24.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -91.42 151.59 20.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -58.66 -32.07 68.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.2 -34.95 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.39 -43.89 80.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.4 -42.38 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.37 -40.3 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -62.52 -40.56 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -76.0 -33.58 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.61 -36.08 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.25 -29.61 70.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.26 -12.73 61.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.11 16.16 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -70.33 -56.5 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.351 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.3 p -90.73 161.03 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 -171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.32 113.2 20.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -148.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.52 -60.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.45 96.08 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -124.43 117.97 25.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 37' ' ' LYS . 96.0 mt-10 -134.55 161.58 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -157.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.85 69.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 -169.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 35' ' ' GLU . 22.5 ptmt -55.61 178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 175.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.483 HG11 ' CH2' ' A' ' 80' ' ' TRP . 34.0 m -43.96 158.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -160.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.05 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -165.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -70.89 -175.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD21 ' H ' ' A' ' 72' ' ' LEU . 5.6 mp -120.76 78.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -175.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.457 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -73.64 158.42 86.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.571 0.7 . . . . 0.0 111.112 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.0 Cg_endo -69.28 -28.32 27.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.271 176.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HA ' HD23 ' A' ' 48' ' ' LEU . 76.9 mm-40 -78.8 -32.17 46.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 70' ' ' PHE . 59.9 tp -74.98 -47.14 30.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 95.3 mt-10 -54.83 -40.47 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -176.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.52 HD21 ' HH2' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -59.28 -28.16 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.053 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 46' ' ' LEU . 91.8 t80 -67.82 -53.28 28.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 64.7 pttt -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -57.29 -33.65 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.811 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.89 -47.17 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.2 -15.85 62.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.797 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.56 28.44 65.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.405 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 50' ' ' LYS . 97.0 mt -63.75 133.24 29.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 0.0 111.093 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.58 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 70.4 p -111.95 161.63 24.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 38.8 Cg_endo -65.84 -8.87 20.99 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.662 2.241 . . . . 0.0 112.264 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.22 -31.71 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -119.08 16.5 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.99 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -69.07 -46.87 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.56 -32.87 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -76.46 -32.64 58.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.74 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.3 p -68.88 -15.38 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -86.33 -48.16 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -88.62 13.59 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -172.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 t30 56.31 59.84 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.3 t30 63.74 34.41 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' HB3' HD11 ' A' ' 46' ' ' LEU . 90.7 m-85 50.49 39.63 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 3.0 tppp? -80.2 86.52 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 178.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 11.3 mt -121.77 147.94 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -176.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.864 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -134.34 146.35 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -178.146 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t -171.64 156.07 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.9 t0 -144.42 115.3 7.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 161.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.94 21.22 4.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 75' ' ' ASP . 96.7 mt-10 -139.32 -175.71 4.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -174.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.76 149.69 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 83.9 t -92.33 129.85 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.483 ' CH2' HG11 ' A' ' 38' ' ' VAL . 40.7 p90 -129.56 171.76 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 174.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.17 126.49 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.864 ' HB2' HD11 ' A' ' 73' ' ' LEU . 42.3 tt0 -57.29 135.82 56.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -178.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.47 -23.87 17.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -98.38 33.81 2.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 88' ' ' ILE . 98.3 mt-10 -62.9 -25.37 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -71.16 -14.62 62.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.496 ' HA ' ' HD2' ' A' ' 90' ' ' LYS . 62.0 m170 -99.83 20.68 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 85' ' ' GLU . 97.2 mt -106.02 143.05 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.23 19.08 79.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.472 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 62.2 mtpt -78.42 176.53 9.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 176.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -110.89 51.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 93' ' ' PRO . 2.3 pp -107.96 158.86 32.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 92' ' ' LEU . 58.8 Cg_endo -71.32 175.17 9.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 176.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . 95.8 mt -70.05 -21.69 63.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.2 -30.75 50.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -124.88 30.28 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' A' ' 94' ' ' LEU . . . -73.47 124.66 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -108.91 45.63 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.54 156.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -149.35 163.58 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -101.4 147.48 26.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.52 ' HH2' HD21 ' A' ' 48' ' ' LEU . 8.4 m95 -55.32 -30.11 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 172.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.94 -26.8 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -80.39 -41.04 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.0 -52.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.19 -48.72 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.74 -41.93 98.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -62.19 -42.86 99.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.3 -43.75 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.75 -35.15 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.73 -25.33 68.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.53 -24.66 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -108.12 86.38 2.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.3 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.4 t -89.57 -157.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 175.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -80.98 -109.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -170.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.97 -41.57 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -156.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.92 160.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -152.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -81.28 -175.29 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 -161.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 96.1 mt-10 -84.3 -19.59 33.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 97.9 mttt 66.21 60.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -171.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -66.98 170.98 5.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -60.39 164.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -173.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -87.14 154.43 20.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.15 173.78 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -161.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.1 mm? -76.54 74.72 3.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.2 p -84.76 155.41 61.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 111.128 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -62.75 -27.9 75.91 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.787 2.325 . . . . 0.0 112.367 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -69.96 -46.2 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.03 -30.89 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' ' 70' ' ' PHE . 6.1 mp -79.44 -35.81 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -70.26 -47.91 59.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.717 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.3 pp -60.69 -28.78 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.472 ' N ' HD12 ' A' ' 48' ' ' LEU . 79.4 t80 -65.34 -59.49 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.19 -29.12 69.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -63.46 -52.65 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.954 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.56 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 tpp -67.44 -30.73 70.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.86 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.97 35.95 11.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.38 115.32 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.97 0.414 . . . . 0.0 111.063 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.467 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 48.5 p -90.44 158.44 43.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.1 Cg_endo -62.8 -18.28 63.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.74 -44.94 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -115.68 19.93 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -62.2 -43.46 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -62.71 -35.46 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -68.04 -43.08 79.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -71.6 -29.25 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.4 p -73.91 -21.93 59.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -70.39 -40.63 73.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.75 ' HB ' HD11 ' A' ' 72' ' ' LEU . 76.9 p -105.25 9.63 33.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -166.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.5 t30 54.58 56.77 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.4 t30 63.3 36.62 11.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.405 ' C ' HD12 ' A' ' 72' ' ' LEU . 98.8 m-85 53.17 47.48 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -177.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 16.1 tppt? -95.37 73.16 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.75 HD11 ' HB ' ' A' ' 67' ' ' THR . 3.5 mp -126.93 144.45 51.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -131.42 155.32 47.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -175.026 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 t -168.56 156.05 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -176.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -150.23 96.97 2.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 163.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.15 25.98 70.04 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.402 -174.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 94.8 mt-10 -139.46 -176.72 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.444 ' HD1' ' HB3' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -58.51 151.27 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 170.088 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' TRP . 52.9 t -104.66 120.3 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 175.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -131.67 153.68 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.63 124.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.664 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.5 tt0 -57.5 127.51 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.42 -16.47 61.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 170.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -102.02 24.48 9.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.08 -26.85 63.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 165.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -65.95 -16.48 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -106.43 10.58 31.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -120.71 147.3 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.74 5.72 77.6 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -169.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -92.95 165.51 12.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.683 0.278 . . . . 0.0 110.868 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 11.4 pm0 -80.1 57.78 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.48 142.84 25.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.8 176.25 3.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.635 2.223 . . . . 0.0 112.377 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.5 -23.61 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.41 -45.47 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -80.5 -21.86 41.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.68 135.23 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -106.33 28.15 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 172.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.34 143.78 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' VAL . 19.8 m-90 -142.14 169.07 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -93.3 153.68 18.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -56.77 -33.98 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.92 163.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.65 -38.78 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.28 -45.03 93.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.67 -44.36 85.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.49 -48.92 78.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -74.7 -29.99 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.24 -45.38 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.7 -35.79 75.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.481 ' HA ' ' HB2' ' A' ' 114' ' ' LEU . 96.2 mt-10 -73.0 -26.38 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 176.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.69 -36.6 84.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.67 41.12 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 50.9 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.3 m -123.36 15.79 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.777 147.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 6.3 tp10 176.54 171.27 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' HG3' ' HA2' ' A' ' 83' ' ' GLY . 63.7 mm-40 -59.51 172.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.811 154.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -88.86 40.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.928 -164.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.97 -68.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 165.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -139.78 140.76 36.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 170.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.13 6.84 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -100.37 108.86 20.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 176.361 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -148.49 178.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -97.35 134.33 40.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 165.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -84.08 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -160.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.527 HD12 HD21 ' A' ' 46' ' ' LEU . 2.9 mm? -73.27 76.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 176.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.2 p -86.05 149.77 51.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.079 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.76 -27.73 81.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -70.45 -53.13 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.11 -34.31 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 HD12 ' A' ' 41' ' ' LEU . 87.4 mt -80.88 -41.23 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -173.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.23 -42.84 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -65.35 -27.25 68.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -67.8 -57.93 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.94 -27.24 68.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.19 -53.71 40.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.26 -37.17 80.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.6 tpp -70.1 -28.97 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.46 21.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.565 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.1 mt -75.56 117.42 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.472 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.4 p -93.66 158.91 35.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.637 0.732 . . . . 0.0 111.152 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -62.46 -13.64 34.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -80.64 -34.32 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -118.46 18.72 13.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.79 -48.45 74.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -63.01 -27.7 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.43 -40.85 73.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -73.99 -22.91 59.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.55 95.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 172.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.8 p -73.67 -25.37 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -69.1 -42.79 75.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.1 p -106.22 15.02 26.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -168.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.6 t30 54.75 60.28 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 65.17 34.55 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 50.45 43.44 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.32 66.59 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 75.8 mt -87.64 129.4 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.2 mt -123.33 155.87 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -159.48 150.29 19.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -146.75 89.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.814 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.54 21.35 62.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.409 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.79 -177.43 5.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.621 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.48 143.42 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 169.363 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 96.6 t -76.55 129.43 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -121.27 156.72 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -83.44 124.99 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -43.08 134.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.437 ' HA2' ' HG3' ' A' ' 32' ' ' GLU . . . 101.84 -12.97 57.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.13 40.12 2.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.2 pm0 -59.93 -18.8 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.64 -34.72 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -85.39 -13.14 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -170.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.4 121.77 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -4.3 67.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.494 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.34 109.89 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.815 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -98.49 107.01 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.97 156.53 37.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.62 63.66 7.34 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.4 mt 57.7 28.65 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.82 -58.27 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.828 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -124.27 26.37 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.49 118.68 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -134.98 37.2 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.56 150.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -174.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -138.75 139.92 38.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 94.4 p -76.65 150.84 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -171.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -60.54 -30.44 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.56 -39.08 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.81 -45.23 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 98.1 mt -59.64 -43.89 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -65.09 -37.35 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.77 -40.83 96.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -72.8 -34.67 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.38 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -67.63 -34.24 76.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.86 -30.52 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.66 -35.47 70.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.6 -36.28 80.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 178.727 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 m -54.33 -32.1 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.39 132.68 45.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -130.49 85.09 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -151.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -92.33 87.87 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -142.78 -105.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -128.29 145.82 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 87.1 tttt -96.24 40.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -79.07 119.73 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -177.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.48 178.43 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -95.77 160.89 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.6 pt-20 -81.56 173.36 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -164.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.568 HD11 HD23 ' A' ' 73' ' ' LEU . 9.2 mp -108.63 104.56 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 175.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 69.2 p -91.87 157.92 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.4 Cg_endo -61.75 -28.99 82.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 174.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.42 -42.49 71.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 174.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -66.53 -38.35 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.09 -38.78 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.16 -46.74 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.1 pp -65.65 -24.16 66.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.406 ' N ' HD12 ' A' ' 48' ' ' LEU . 91.3 t80 -63.67 -57.58 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.5 -30.6 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.03 -49.18 71.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.82 73.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.4 tpp -65.54 -27.44 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.26 31.12 39.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -72.33 120.96 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 111.096 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.498 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.7 159.39 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 111.2 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 31.2 Cg_endo -60.83 -17.42 50.4 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -69.34 -48.22 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -111.15 22.97 14.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.96 -45.23 74.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -67.96 -27.53 66.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.43 -47.62 59.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.956 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -64.94 -33.09 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.03 90.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -75.91 -37.16 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -101.56 17.12 23.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -168.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 51.16 60.15 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 65.06 35.44 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.26 29.37 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -92.95 104.52 16.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 3.5 mp -131.49 145.05 51.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 41' ' ' LEU . 41.2 mt -120.07 156.22 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 79' ' ' VAL . 10.6 t -167.77 154.26 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 175.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.59 97.78 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.2 23.42 64.14 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.04 -177.06 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -172.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.454 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -61.1 150.62 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 168.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 89.7 t -85.01 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.6 p90 -127.56 158.52 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.77 131.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.25 128.48 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.37 -18.15 58.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.427 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -112.57 17.09 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -58.81 -15.5 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 167.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -35.5 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 168.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -74.95 -13.86 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.6 mt -56.21 125.3 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.198 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.06 12.1 66.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.503 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.43 110.39 16.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.904 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.31 103.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.3 mt -122.69 154.38 63.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.678 0.751 . . . . 0.0 110.917 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 166.39 22.95 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.562 2.175 . . . . 0.0 112.373 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.78 -25.32 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -72.37 -42.01 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.96 16.63 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.43 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -133.54 35.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.76 141.65 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.8 m-90 -142.88 146.95 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.872 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -79.05 147.77 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.27 -30.26 66.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 167.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -70.5 -33.37 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 174.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.87 -46.58 77.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.85 -41.61 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.04 -44.75 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 111' ' ' GLU . 98.0 m-20 -62.66 -36.04 81.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.819 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -67.91 -37.82 82.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 112' ' ' LEU . 96.1 mt -68.4 -33.12 73.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.02 -30.07 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 76.2 mm-40 -70.46 -29.23 65.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 109' ' ' LEU . 94.9 mt -73.77 -27.62 61.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.31 137.56 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.259 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' GLY . 30.8 t 140.89 -76.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 135.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -176.05 94.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -139.2 116.69 11.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -167.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -122.83 -27.7 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 171.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -176.53 123.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 169.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.32 110.69 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 160.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -99.91 35.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 22.5 ptmt -147.34 52.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -147.3 168.84 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 168.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 -98.63 152.53 19.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' HG3' HG23 ' A' ' 42' ' ' THR . 25.1 pt-20 -71.96 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -166.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.08 81.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' HG3' ' A' ' 40' ' ' GLU . 63.5 p -82.68 151.52 64.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.503 0.668 . . . . 0.0 111.14 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.11 -27.81 84.73 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -70.12 -42.47 72.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.76 -30.0 66.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.17 -34.9 56.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -70.03 -46.2 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.2 pp -63.72 -26.22 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -177.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.51 -58.64 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.49 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -64.51 -47.46 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.26 94.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -70.18 -21.65 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.7 55.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.08 127.99 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 111.078 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.3 p -103.27 158.35 31.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.598 0.713 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 35.0 Cg_endo -60.9 -14.27 31.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.408 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.25 -37.07 38.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -119.09 19.88 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.22 -46.62 76.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -63.85 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.81 -47.41 75.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.808 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -66.64 -39.23 88.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.32 71.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -79.1 -27.6 42.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -88.98 -30.76 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.454 ' HA ' HG21 ' A' ' 81' ' ' VAL . 72.0 p -90.32 -0.45 57.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.1 t30 57.74 59.64 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.2 t30 63.77 34.04 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 51.4 44.61 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 12.8 tptm -72.24 70.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 170.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 56.0 mt -97.22 137.47 36.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.983 -173.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -133.12 155.87 48.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 175.543 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 13.3 t -160.53 152.75 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -146.72 85.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.777 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 21.73 64.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.42 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -142.18 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -175.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.5 m0 -68.27 149.81 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 173.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 98.0 t -87.33 123.94 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 159.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.477 ' CZ3' ' HA ' ' A' ' 74' ' ' THR . 25.1 p90 -132.46 158.22 42.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -174.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG21 ' HA ' ' A' ' 67' ' ' THR . 87.6 t -82.97 127.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 172.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.723 ' HB2' HD11 ' A' ' 73' ' ' LEU . 85.1 tt0 -42.34 127.26 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.14 46.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.486 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -116.45 37.6 3.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.5 mp0 -61.08 -20.89 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 171.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -72.98 -4.01 29.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -107.79 12.52 27.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.925 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' A' ' 80' ' ' TRP . 87.7 mt -89.33 120.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.83 -14.93 64.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.98 172.31 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -117.42 105.65 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 96.9 mt -115.46 93.23 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 110.929 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 57.9 Cg_endo -65.66 -19.49 59.81 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.29 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.56 169.43 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -73.4 -4.86 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.31 -15.81 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.967 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.89 133.4 42.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.166 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -131.66 33.69 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.2 140.15 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -141.39 151.69 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 86.1 p -78.04 152.4 33.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -58.55 -33.7 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 170.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.69 -38.27 86.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -64.47 -45.75 86.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.02 -42.5 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.17 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -72.13 -37.74 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.61 -33.62 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.7 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.01 -20.95 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.5 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.3 pp -125.35 20.27 8.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -110.08 80.8 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.192 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 29' ' ' GLY . 5.4 m 88.78 19.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 168.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -176.33 166.97 2.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -160.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' OE1' ' NZ ' ' A' ' 36' ' ' LYS . 93.5 mt-10 -126.05 0.67 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 168.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' GLU . 58.8 mtpt 40.66 56.91 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 168.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -160.62 153.12 20.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 95.8 mt-10 -95.77 9.73 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 169.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' NZ ' ' OE1' ' A' ' 32' ' ' GLU . 75.6 mmtt 71.02 10.6 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.838 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -150.98 -31.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.919 167.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 73' ' ' LEU . 7.3 m -151.33 174.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -171.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.2 mmm-85 -93.22 142.87 26.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -75.41 179.45 5.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -163.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.63 HD22 ' HE2' ' A' ' 71' ' ' LYS . 5.4 mp -110.45 82.93 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 70.7 p -74.18 157.41 86.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.8 Cg_endo -62.91 -22.41 73.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 173.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -78.78 -43.48 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.16 -37.01 77.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 HD23 ' A' ' 41' ' ' LEU . 82.2 mt -71.07 -40.73 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.88 -41.11 68.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.622 HD12 ' C ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -67.15 -23.69 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.07 -58.75 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -65.34 -26.42 68.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.95 -47.69 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.819 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.18 90.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 mmt -82.28 -13.37 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.3 38.36 91.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.498 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.4 124.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 111.095 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.1 p -100.68 158.08 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.4 Cg_endo -60.16 -19.34 56.37 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.627 2.218 . . . . 0.0 112.327 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -69.33 -46.98 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.41 20.73 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -64.61 -51.25 63.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.852 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -64.51 -27.46 68.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.02 -43.16 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -68.78 -37.87 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.39 68.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -67.06 -47.31 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -80.31 -25.98 39.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.991 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -91.41 4.84 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.4 t30 53.63 58.22 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 65.12 35.17 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 50.22 39.69 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.63 ' HE2' HD22 ' A' ' 41' ' ' LEU . 3.1 mmpt? -89.25 71.66 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 172.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.533 ' N ' HD21 ' A' ' 41' ' ' LEU . 70.0 mt -88.9 135.89 33.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD22 HG21 ' A' ' 38' ' ' VAL . 65.1 mt -119.7 151.54 38.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -155.99 145.28 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -152.94 84.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 17.93 60.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -139.76 -178.95 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -176.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.586 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.49 143.52 53.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 172.366 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' TRP . 88.8 t -69.14 133.51 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.238 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -126.6 157.0 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.72 125.47 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.81 129.99 35.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.25 -12.86 55.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.7 38.06 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -62.32 -19.36 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -72.0 -7.87 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -107.87 10.13 28.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -80.96 126.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.64 8.13 77.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.555 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -98.75 149.76 22.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.685 0.278 . . . . 0.0 110.889 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -100.17 91.35 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -112.83 146.34 34.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -57.55 149.94 63.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.9 -32.51 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -74.8 -29.86 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -111.44 13.33 21.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.97 129.28 43.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -95.19 36.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 168.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.62 144.72 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.3 m-90 -136.44 146.28 46.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 16.6 t -70.87 145.47 50.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -61.38 -30.41 70.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -36.38 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.74 -44.47 93.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.11 -45.11 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.68 -38.82 92.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.84 -39.34 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -67.51 -39.3 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.483 HD11 HD13 ' A' ' 48' ' ' LEU . 85.8 mt -67.9 -33.19 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.03 -30.63 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.33 -34.21 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 174.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.2 -37.14 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -118.08 88.0 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.3 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.5 p -101.1 162.53 12.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -170.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -105.56 174.38 5.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -161.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -121.71 120.81 35.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 164.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.73 146.13 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -157.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -134.82 -179.07 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.933 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.46 -52.68 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -173.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 42.51 64.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -121.29 138.25 54.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -167.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.54 -179.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -82.62 149.97 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -88.06 177.4 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -164.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mp -103.01 97.31 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -174.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 p -107.91 155.37 40.08 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.181 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -60.14 -29.12 88.42 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.99 -45.04 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HA ' HD23 ' A' ' 48' ' ' LEU . 96.5 mt-10 -76.08 -29.24 57.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -75.27 -35.12 61.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.19 -53.04 34.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.629 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -56.21 -24.83 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -69.98 -58.95 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -68.82 -30.66 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.42 -47.8 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.0 tpp -69.56 -24.75 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.82 36.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.589 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.44 125.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -97.28 158.78 32.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 111.154 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -61.83 -17.87 57.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.751 2.301 . . . . 0.0 112.432 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.76 -46.91 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -113.57 23.14 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -65.96 -43.11 88.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -66.4 -33.23 75.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -66.54 -41.1 89.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -74.23 -36.06 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.88 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.1 p -71.3 -30.55 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -89.75 -30.78 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -88.05 10.21 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 t30 49.45 54.68 10.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 66.49 35.79 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 51.46 35.47 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -84.58 96.9 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 172.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 mt -117.81 132.18 56.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -166.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.1 mt -114.74 153.56 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -168.08 155.54 8.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -153.71 96.3 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.46 20.52 23.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -140.46 -178.09 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -57.85 152.31 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 172.644 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.28 135.25 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -128.34 159.64 34.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -87.92 127.09 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.09 127.56 29.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.13 -18.71 55.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -111.18 20.13 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.92 -21.51 63.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.876 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -92.79 1.28 57.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -114.53 5.58 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.9 pt -111.06 157.81 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 -177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.61 10.52 85.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 -172.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -104.18 166.78 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 12.2 pm0 -83.51 57.6 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.96 153.91 37.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.02 -178.3 2.0 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.776 2.318 . . . . 0.0 112.251 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -76.47 -19.26 58.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.58 -35.99 45.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -99.42 14.85 28.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.07 142.14 38.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.12 23.36 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.95 147.18 9.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -144.61 155.53 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -91.35 148.02 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -174.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -57.16 -27.64 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.85 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -81.41 -42.96 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.8 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.03 -44.81 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.27 -39.5 78.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -58.97 -46.95 86.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -76.0 -35.67 59.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.3 -43.43 88.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.13 -28.41 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -57.31 -30.15 64.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 112' ' ' LEU . 1.8 pt? -125.2 5.91 7.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -146.44 55.91 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 175.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.0 t -53.47 136.49 37.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.829 -164.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -86.02 -179.72 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.94 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -104.48 -56.66 2.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -95.95 134.39 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -164.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -116.17 17.86 15.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -170.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.56 128.73 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 167.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.7 68.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 168.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.6 135.0 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -165.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.72 -177.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.11 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -89.93 143.47 26.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -100.57 170.4 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -160.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD11 ' H ' ' A' ' 72' ' ' LEU . 1.8 mm? -76.82 79.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 60.2 p -79.21 158.56 74.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 111.186 167.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.4 Cg_endo -61.69 -25.9 79.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.296 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.52 -43.27 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -76.49 -28.93 56.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.45 -53.22 7.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.24 -37.43 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -171.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.639 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -66.47 -26.3 67.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -176.323 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -69.07 -57.27 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -64.12 -27.53 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -66.05 -46.23 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 174.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.41 67.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 tpp -67.78 -24.97 65.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.4 38.69 17.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.445 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.09 132.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.15 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -123.43 156.02 64.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.64 0.733 . . . . 0.0 111.185 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 60' ' ' TYR . 52.5 Cg_endo -66.85 -15.13 46.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.02 -48.35 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.15 26.26 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.482 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 92.3 t80 -63.52 -46.38 86.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.426 ' CE2' ' HG3' ' A' ' 62' ' ' GLN . 57.7 p-90 -65.55 -33.14 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' HG3' ' CE2' ' A' ' 61' ' ' TRP . 88.5 mt-30 -63.88 -48.07 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.031 174.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.3 -38.46 90.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.61 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -81.27 -32.88 33.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -89.48 -29.21 19.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.958 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 p -90.34 11.98 19.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 50.4 63.35 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.867 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.3 t30 59.78 36.15 22.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 54.06 37.3 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -95.62 91.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.539 ' H ' HD11 ' A' ' 41' ' ' LEU . 32.1 mt -108.23 137.57 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' A' ' 74' ' ' THR . 70.3 mt -128.02 151.38 49.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 73' ' ' LEU . 15.1 t 179.55 166.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 167.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -145.87 105.92 4.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.78 20.88 62.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.28 -178.12 5.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 -175.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -59.87 148.4 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 169.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' TRP . 91.5 t -79.24 137.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.064 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -131.13 160.77 33.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.62 131.13 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.4 134.08 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -1.54 86.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -123.09 31.47 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -58.6 -21.69 54.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 165.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.39 -30.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -94.85 38.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -106.59 128.18 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.14 26.32 58.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.434 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.26 169.43 10.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 178.297 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -101.67 35.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.509 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 70.5 mt -100.09 153.5 37.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.873 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.5 171.94 14.31 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.297 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.97 -30.11 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.03 -41.4 82.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -96.85 18.62 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.86 52.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -93.98 47.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 170.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.99 137.69 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' VAL . 4.3 m-90 -133.67 161.32 34.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.92 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 94.0 p -91.59 152.24 20.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.4 ' HZ3' HD11 ' A' ' 48' ' ' LEU . 9.9 m95 -59.28 -32.78 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 171.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.37 -36.08 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.987 0.422 . . . . 0.0 110.924 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.98 -44.44 89.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.42 -39.62 83.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -65.33 -37.85 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -70.8 -37.9 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.36 -35.81 82.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.85 -32.53 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.9 -20.67 62.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.3 mt -93.2 15.95 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.973 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -121.73 89.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -177.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -75.49 138.12 41.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -83.01 -179.4 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -164.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 71' ' ' LYS . 34.9 mt -123.0 74.7 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -168.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 71.1 p -90.85 155.37 45.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.107 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.53 -17.11 58.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -86.29 -46.02 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.01 -38.65 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.1 mt -66.93 -23.94 66.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -171.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 94.6 mt-10 -60.91 -30.66 70.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -176.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -63.57 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -177.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.31 -59.22 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 63.5 pttt -64.28 -26.0 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -63.21 -48.44 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.8 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.417 ' HB2' HG13 ' A' ' 55' ' ' ILE . 22.3 mmt -76.2 -16.26 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.57 36.09 75.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 53' ' ' MET . 97.2 mt -71.34 129.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.108 -171.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.512 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 36.7 p -98.06 159.93 29.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.7 Cg_endo -60.03 -18.81 52.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.365 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.3 -50.62 30.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -105.8 21.09 17.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 74.5 t80 -63.57 -54.29 38.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -63.22 -30.37 71.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.91 -45.48 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -71.08 -37.97 72.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.71 -27.65 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -75.35 -54.69 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -63.98 -26.62 68.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -96.63 2.62 52.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.6 t30 54.13 60.94 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 t30 66.49 35.75 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.422 ' O ' HD22 ' A' ' 46' ' ' LEU . 81.7 m-85 52.6 35.33 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HB3' HD13 ' A' ' 41' ' ' LEU . 67.1 mmtt -98.18 98.46 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB3' HG12 ' A' ' 79' ' ' VAL . 4.3 mp -128.66 129.23 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.0 mt -97.03 150.13 21.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -170.53 170.92 6.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 63.8 t0 -151.86 81.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 174.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.12 26.7 67.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 75' ' ' ASP . 12.7 pt-20 -147.78 -169.57 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -172.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 80' ' ' TRP . 32.7 p-90 -51.78 140.73 18.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 72' ' ' LEU . 57.7 t -101.89 144.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 78' ' ' TRP . 45.6 p90 -135.41 156.0 49.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.84 132.22 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.56 125.69 22.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.36 -11.67 65.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.25 7.03 15.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HA ' HG12 ' A' ' 88' ' ' ILE . 22.2 pm0 -63.33 -14.87 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 169.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -81.11 -14.05 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 171.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -108.03 27.77 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.477 HG12 ' HA ' ' A' ' 85' ' ' GLU . 51.1 mm -99.08 140.07 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.11 13.27 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -106.25 159.46 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -83.59 84.43 7.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 87.6 mt -118.28 142.08 30.64 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.961 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.59 176.31 5.15 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.72 -31.38 72.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.61 -30.98 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 99.8 mm-40 -102.88 -8.76 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.21 137.65 56.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -135.94 30.57 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.17 141.04 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -140.84 159.02 43.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -87.47 153.14 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -54.9 -30.43 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 168.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.47 -39.3 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.94 -41.43 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.7 -47.19 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -68.8 -32.23 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -55.52 -50.21 70.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -73.21 -37.46 66.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 tp -64.82 -39.34 93.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.8 -31.65 72.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.15 -30.21 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.877 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 177.521 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -102.62 140.29 37.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -79.1 176.74 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -164.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.3 mp -83.69 91.59 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.8 p -95.15 153.17 39.8 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.683 0.754 . . . . 0.0 111.052 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -58.49 -28.33 85.08 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.529 2.153 . . . . 0.0 112.43 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.9 -49.01 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.39 -27.54 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.88 -39.65 16.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.81 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -65.25 -25.6 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.75 -59.21 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 55' ' ' ILE . 65.7 pttt -65.45 -26.96 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.75 -44.07 91.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.52 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -76.16 -13.21 60.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.54 32.99 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.538 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 50' ' ' LYS . 88.5 mt -75.15 124.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -171.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -102.89 158.79 31.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.7 0.762 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.5 Cg_endo -59.99 -17.69 46.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.773 2.315 . . . . 0.0 112.31 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.75 -42.14 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -117.76 20.35 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -65.37 -50.11 66.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -61.95 -28.42 69.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.37 -46.13 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -66.62 -35.87 81.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.03 69.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.2 m -74.25 -40.95 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -83.47 -27.05 29.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.801 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -91.23 4.35 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 t30 53.54 58.14 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 64.84 34.12 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 52.71 38.44 26.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -87.17 93.74 9.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -119.81 132.24 55.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -168.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -113.96 153.34 29.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 172.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -162.26 159.28 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -154.45 85.45 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 171.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.86 15.05 33.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -135.66 -127.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -173.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.7 m0 -75.39 145.37 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 171.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 98.7 t -93.52 116.65 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 159.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -124.18 158.26 32.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -170.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.1 t -84.18 127.06 40.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -49.61 126.6 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.96 -11.7 45.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.77 37.48 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.944 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.4 mp0 -52.98 -23.27 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.83 -42.29 98.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -80.25 -11.9 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -168.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.62 125.85 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.21 18.74 56.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.425 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 163.71 16.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -104.97 105.57 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -116.12 88.1 21.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.76 -16.81 33.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.62 2.213 . . . . 0.0 112.409 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.51 179.62 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.84 -4.99 22.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.55 -10.45 59.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 132.28 22.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -132.73 17.36 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.15 143.21 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.5 m-90 -139.29 161.48 37.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 27.4 t -89.4 149.62 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -57.62 -31.94 66.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 166.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -71.5 -34.3 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -67.58 -43.32 80.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.8 -42.61 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -63.74 -39.43 94.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.55 -34.32 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -67.83 -41.43 83.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.83 -34.49 78.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.52 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.16 -29.18 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 176.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 30.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.837 0.351 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -91.28 159.17 16.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.745 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 42' ' ' THR . 24.4 pt-20 -75.51 -179.3 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -165.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 5.8 mp -111.56 81.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 40' ' ' GLU . 64.1 p -79.32 154.9 76.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 111.188 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.88 -27.36 80.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.23 -46.74 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.39 -32.6 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.6 -42.81 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.689 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.7 pp -64.45 -28.52 69.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' N ' HD12 ' A' ' 48' ' ' LEU . 70.8 t80 -66.54 -56.39 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.26 -28.44 69.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -66.36 -51.59 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.32 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.7 tpp -68.21 -28.33 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.23 33.61 22.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.489 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.5 mt -77.89 127.92 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' TYR . 44.8 p -112.05 160.03 31.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.519 0.676 . . . . 0.0 111.194 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -59.26 -14.18 23.2 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.756 2.304 . . . . 0.0 112.418 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.02 -38.67 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -115.99 17.8 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' THR . 90.7 t80 -64.72 -48.55 74.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -62.19 -29.7 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -67.99 -44.47 76.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -72.6 -25.64 61.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.47 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -80.88 -23.58 38.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.809 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -71.34 -46.96 59.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -96.23 11.35 34.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.3 t30 52.01 60.51 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 67.71 35.35 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 51.47 42.93 29.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.751 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 10.1 mmpt? -82.51 52.96 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.829 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.517 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 87.4 mt -75.13 139.54 42.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -139.08 156.41 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 177.395 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 t -166.58 155.41 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.0 t0 -145.55 91.42 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.69 22.88 66.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.49 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -140.98 -177.12 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -58.95 153.26 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 166.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.517 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 99.1 t -86.84 139.17 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -135.11 156.82 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.4 t -81.92 130.61 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.645 ' HB2' HD11 ' A' ' 73' ' ' LEU . 89.1 tt0 -46.68 129.65 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 172.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.72 -19.31 55.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.74 35.41 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.93 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -17.27 51.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 160.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.61 -18.04 50.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 167.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 63.0 m170 -115.11 41.77 2.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -172.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.67 117.32 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.16 18.33 59.42 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 8.4 mptt -107.72 140.22 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -85.07 85.41 7.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.99 152.08 48.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.022 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ALA . 59.8 Cg_endo -71.25 162.09 43.62 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.737 2.291 . . . . 0.0 112.369 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.4 -29.77 66.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.55 -38.63 77.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -101.18 7.85 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -82.16 141.75 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.84 35.74 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.01 142.89 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -141.95 151.35 42.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.988 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.9 p -84.29 151.47 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.844 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -58.74 -30.25 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 170.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.62 -35.62 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -64.63 -48.16 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.6 mt -57.34 -42.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.33 -40.41 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.28 -39.69 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -72.01 -34.6 68.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.88 -32.78 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.76 -34.25 77.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.73 -21.06 64.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 176.067 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 HD23 ' A' ' 73' ' ' LEU . 30.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.909 0.385 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -99.91 155.54 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 162.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 42' ' ' THR . 25.4 pt-20 -70.0 169.83 12.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -162.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD11 ' HG ' ' A' ' 73' ' ' LEU . 10.9 mp -112.2 84.94 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 40' ' ' GLU . 53.5 p -81.45 155.29 71.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.169 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -61.36 -27.46 82.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -71.33 -39.73 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -68.8 -33.96 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.62 -37.01 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.85 -48.93 69.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.7 pp -64.34 -23.96 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' A' ' 53' ' ' MET . 82.9 t80 -68.09 -61.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 174.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -63.47 -25.11 68.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.11 -56.37 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.67 91.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 49' ' ' PHE . 98.0 mmm -76.13 -7.03 53.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.03 44.53 23.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.422 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.71 127.18 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.185 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.1 p -115.99 156.82 46.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.184 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.21 -18.72 61.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.85 -36.19 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -109.29 22.64 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.31 -51.08 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -76.22 -28.63 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.96 -46.23 85.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.836 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -70.3 -41.9 72.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.74 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -69.52 -48.38 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -77.35 -24.62 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.88 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -94.97 4.47 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.1 t30 50.4 62.7 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.1 t30 64.66 36.69 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 55.45 39.65 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HE3' HD22 ' A' ' 41' ' ' LEU . 37.8 tptt -107.35 104.69 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 175.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.66 150.06 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.462 HD23 HG21 ' A' ' 38' ' ' VAL . 4.3 mp -124.95 156.8 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.447 ' HB ' HG22 ' A' ' 79' ' ' VAL . 8.8 t -150.01 139.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -175.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 58.7 t0 -144.04 83.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.62 24.61 66.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.02 -173.73 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.852 -176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.74 152.29 19.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 175.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 74' ' ' THR . 70.4 t -84.07 125.32 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -114.52 152.63 31.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.5 135.23 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.73 132.06 40.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.75 63.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.75 31.1 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.889 0.375 . . . . 0.0 110.995 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -61.25 -19.77 62.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.18 -33.27 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -81.97 -5.13 58.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 125.08 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.37 12.87 62.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -118.88 146.97 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.624 0.249 . . . . 0.0 110.899 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -97.13 98.35 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.46 148.02 35.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.935 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.49 161.34 46.39 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.367 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.5 -30.37 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.77 -30.59 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -120.6 26.2 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.01 137.33 40.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.6 27.16 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 174.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.95 145.7 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -140.02 144.69 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.5 p -75.58 150.99 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -60.49 -30.82 69.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 170.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.44 -40.03 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.16 -45.89 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.04 -42.2 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -65.66 -38.55 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.41 -36.78 78.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -77.15 -34.46 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.81 -34.05 77.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.83 -30.97 71.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.51 -7.93 55.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 178.337 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 33.8 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -93.24 148.53 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.3 pt-20 -75.31 178.1 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -164.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.2 mp -105.67 99.54 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 71.2 p -88.64 158.25 48.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.693 . . . . 0.0 111.188 175.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 38.3 Cg_endo -61.82 -29.24 82.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 174.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -71.73 -41.34 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.71 -35.81 77.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.71 -39.5 26.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.72 -41.75 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.5 pp -66.71 -25.16 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.453 ' N ' HD12 ' A' ' 48' ' ' LEU . 90.6 t80 -66.22 -59.14 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.64 -27.77 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.63 -43.82 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.81 76.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.411 ' HB2' HG13 ' A' ' 55' ' ' ILE . 25.4 mmt -76.08 -21.59 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.883 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.42 64.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' A' ' 53' ' ' MET . 98.5 mt -65.05 117.83 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 111.086 -169.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 69.0 p -88.09 160.11 46.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.522 0.677 . . . . 0.0 111.174 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 45.8 Cg_endo -62.76 -13.11 32.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.38 -39.61 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.2 20.05 15.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -65.02 -49.15 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE2' ' HG3' ' A' ' 62' ' ' GLN . 55.2 p-90 -63.3 -31.94 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 61' ' ' TRP . 88.8 mt-30 -65.76 -48.97 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -65.98 -31.52 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -29.86 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.026 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -82.82 -31.0 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -174.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -87.94 -29.17 21.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.8 p -88.15 7.79 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 49.85 65.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 63.86 33.44 12.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 54.94 33.34 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -95.68 98.87 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mp -124.81 146.63 49.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -130.79 157.3 43.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.8 t -167.84 155.85 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.5 t0 -142.53 93.91 2.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 24.63 62.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -145.87 -170.37 3.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -171.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -64.22 150.71 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 174.356 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.78 136.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -129.68 160.82 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.85 133.78 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.661 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.8 tt0 -53.89 131.4 39.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.56 -14.79 62.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.56 40.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.979 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.2 mp0 -56.76 -26.29 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.482 ' HG3' ' CD2' ' A' ' 87' ' ' HIS . 25.2 pt-20 -65.01 -4.44 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.482 ' CD2' ' HG3' ' A' ' 86' ' ' GLU . 59.5 m170 -116.5 21.68 13.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 89.0 mt -103.78 115.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.33 -14.23 63.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 10.2 mptt -81.51 -179.83 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -136.06 62.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.51 154.61 48.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.974 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.28 159.61 51.47 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.747 2.298 . . . . 0.0 112.362 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -47.5 -42.08 22.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.99 -37.89 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -104.58 14.8 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.07 137.96 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.25 39.3 3.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.23 139.3 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -137.61 165.76 25.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 167.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.56 -34.34 74.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -67.79 -43.72 79.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.87 -43.95 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -64.96 -39.14 93.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -73.31 -36.13 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.82 -31.37 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.29 -34.13 72.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.66 -26.41 65.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.4 pp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -88.56 145.81 25.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.71 171.36 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -88.27 97.04 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 172.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -92.61 151.2 40.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -60.57 -27.75 85.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.249 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -69.45 -53.47 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.31 -31.98 73.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 41' ' ' LEU . 84.6 mt -80.25 -43.24 21.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -175.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.82 -42.4 73.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.572 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.0 pp -65.06 -25.27 67.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -69.72 -58.16 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -65.49 -27.11 68.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.64 -51.67 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.019 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.57 -13.49 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.81 39.25 97.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.3 mt -70.91 120.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.199 -171.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.18 158.43 32.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.7 Cg_endo -62.49 -12.99 30.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -83.39 -26.35 30.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -127.78 18.6 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.71 -46.84 83.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -62.08 -27.26 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.67 -44.19 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -72.74 -27.73 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.56 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -72.33 -45.29 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -95.21 16.88 15.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 49.8 59.35 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.978 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.4 t30 64.1 34.83 10.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 51.79 43.94 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.7 mmmm -95.28 73.16 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.1 mt -89.31 131.03 35.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.9 mt -118.77 154.58 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -157.62 154.28 28.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.18 89.56 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.84 63.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -147.59 -168.26 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.468 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 0.5 OUTLIER -57.75 161.31 3.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 169.357 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.85 130.36 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -123.71 154.48 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.14 130.87 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.39 127.88 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.03 -13.6 57.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.638 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -119.36 19.97 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -60.55 -18.39 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.27 -37.77 75.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -80.75 -6.64 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -171.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.16 125.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.62 59.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.444 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 140.02 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -88.59 92.59 9.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.66 132.76 20.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.708 0.766 . . . . 0.0 110.845 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.91 56.1 5.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.452 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 80.4 mt 54.31 29.23 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -87.32 -66.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -112.0 18.41 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.74 129.55 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.85 39.2 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.57 139.52 19.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -132.91 131.82 41.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 87.3 p -65.83 150.13 49.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.71 -41.43 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.02 -44.5 92.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.16 -41.5 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.28 -42.97 96.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.807 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.62 -35.16 78.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.88 -39.65 93.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.07 -29.46 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.25 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.26 -14.22 62.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.864 0.364 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -88.69 165.58 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.5 pt-20 -89.97 -177.55 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -173.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.0 mm? -100.78 91.86 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 176.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -96.16 160.09 30.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.142 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.3 Cg_endo -66.82 -32.37 36.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -71.27 -41.12 70.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 75.7 mm-40 -71.1 -37.51 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.7 tt -73.37 -34.29 65.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 88.8 tt0 -59.13 -45.88 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.3 pp -67.04 -27.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -70.13 -53.55 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.5 pttt -68.76 -30.69 69.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -68.54 -43.78 75.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.25 -38.1 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.45 -17.63 64.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 36.92 45.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.99 121.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.107 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 72.6 p -103.23 159.83 28.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.242 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 51.7 Cg_endo -68.12 -12.58 35.56 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.763 2.309 . . . . 0.0 112.228 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -77.53 -33.97 54.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.49 26.64 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.47 -44.7 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.01 -44.8 94.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -71.2 -30.62 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.59 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -71.73 -23.46 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.5 -38.2 49.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -97.62 14.31 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 49.81 64.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.5 t30 62.78 38.01 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 50.18 37.63 15.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HD2' ' HG ' ' A' ' 41' ' ' LEU . 12.9 mmmm -95.77 95.82 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 174.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.55 132.3 48.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -129.47 142.56 50.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -170.337 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.515 HG21 HG22 ' A' ' 79' ' ' VAL . 12.2 t -172.47 157.02 3.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -135.89 115.34 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 169.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 22.29 10.66 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.37 -178.4 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.773 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.49 151.48 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG22 HG21 ' A' ' 74' ' ' THR . 86.1 t -91.43 133.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -128.97 166.94 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -93.64 126.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.32 137.79 28.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.98 -21.94 43.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.87 31.68 4.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.54 -25.08 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.28 -37.89 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 174.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -67.7 -21.61 65.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.06 136.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.46 63.58 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -127.91 121.54 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.24 100.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.41 158.99 35.68 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 111.007 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 96' ' ' GLN . 23.2 Cg_exo -66.35 179.48 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.399 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.57 -27.11 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.55 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.495 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 98.6 mm-40 -119.33 31.98 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.25 119.76 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -104.6 12.39 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.45 150.37 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -145.14 127.74 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -71.57 157.01 38.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -63.73 -33.36 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 174.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.13 -29.26 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -78.37 -42.53 30.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.19 -39.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.148 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 61.6 mtpt -69.45 -35.91 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.51 -39.14 77.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -65.45 -43.49 90.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.02 -46.76 84.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 106' ' ' LYS . 61.5 mtpt -61.09 -36.18 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.92 -21.73 66.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -177.217 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -93.58 150.51 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -78.86 179.95 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 71' ' ' LYS . 6.6 mp -98.57 75.13 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -71.37 151.04 94.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -59.39 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.576 2.184 . . . . 0.0 112.386 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -68.71 -48.98 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -67.37 -30.1 69.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.8 -43.99 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -67.34 -40.96 85.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.2 pp -68.13 -25.23 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -72.14 -54.11 10.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -64.85 -24.96 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -76.1 -35.27 59.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.04 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -92.54 -18.63 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.43 46.0 57.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 94.3 mt -73.09 125.22 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 111.165 -171.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.496 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.5 p -104.41 159.5 29.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.0 Cg_endo -58.51 -20.84 51.36 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 176.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.49 -48.4 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.47 23.05 14.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.03 -48.08 77.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -72.14 -20.49 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -75.12 -37.21 61.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.96 174.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -78.46 -24.96 45.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.4 p -76.94 -25.94 53.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -71.3 -39.91 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -105.16 12.87 31.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.3 t30 52.36 60.06 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 66.6 35.96 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 53.9 43.13 31.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.9 mmmm -99.3 91.92 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 174.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.7 mt -112.33 131.49 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.3 mt -114.95 154.17 29.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.464 ' HB ' HG22 ' A' ' 79' ' ' VAL . 14.8 t -158.31 150.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -176.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -159.19 86.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.77 23.8 69.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -154.7 -173.13 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.663 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -56.58 137.18 54.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 173.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 74' ' ' THR . 62.6 t -74.78 131.17 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 173.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -126.54 153.97 44.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.0 t -77.23 125.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.159 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.86 133.35 55.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.46 -6.38 33.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -129.04 59.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.993 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.29 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.926 166.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -70.05 -11.05 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -107.29 4.02 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.3 mt -88.82 122.28 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 -8.47 65.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.69 156.67 17.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -178.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -103.35 96.53 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.15 145.46 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.979 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 97' ' ' ALA . 60.3 Cg_endo -68.45 154.4 71.9 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.74 -31.06 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -173.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.67 -41.01 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -109.12 14.28 24.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -79.22 135.24 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.97 28.23 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 166.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 79' ' ' VAL . . . -158.82 135.63 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 176.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -133.74 142.44 47.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 84.5 p -71.99 150.75 43.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.726 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -59.59 -30.37 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.79 -50.07 72.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.53 -43.84 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.82 -48.34 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -70.02 -34.79 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.99 -41.39 99.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -80.05 -32.19 39.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.4 -39.33 81.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.39 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -76.53 -29.88 56.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 173.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -176.776 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.779 0.323 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.37 172.11 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.3 pt-20 -88.45 173.79 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -169.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD11 ' HG ' ' A' ' 73' ' ' LEU . 9.0 mp -112.65 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -177.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 63.7 p -88.08 160.5 46.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.682 . . . . 0.0 111.174 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.3 Cg_endo -61.26 -28.61 85.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 174.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.68 -39.24 84.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -70.47 -37.42 74.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.24 -37.0 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 96.7 mt-10 -66.39 -48.42 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.6 pp -65.16 -26.97 68.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.61 -56.32 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.7 pttt -64.68 -28.96 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.35 -56.01 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.831 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.52 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.2 tpp -73.15 -18.97 61.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.4 56.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.545 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.63 131.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.066 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 60.0 p -125.7 158.84 63.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 175.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 43.2 Cg_endo -64.45 -14.27 43.25 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -72.24 -30.54 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -132.64 26.48 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -66.68 -38.23 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -68.18 -41.42 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -60.83 -48.73 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' A' ' 67' ' ' THR . 69.6 m95 -66.68 -37.04 83.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 177.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.31 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -82.21 -40.83 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -81.77 -24.87 35.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 63' ' ' TRP . 74.2 p -96.51 8.63 43.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.3 t30 50.39 54.69 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.3 t30 64.41 40.07 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 51.94 37.28 20.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -94.97 95.12 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.76 147.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.845 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -133.4 149.94 51.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -173.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.477 ' HA ' ' CH2' ' A' ' 80' ' ' TRP . 13.1 t -172.64 161.9 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 175.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -137.94 109.95 7.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.07 23.48 39.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.441 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -140.33 -176.75 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.04 153.91 24.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -92.5 126.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 74' ' ' THR . 35.0 p90 -124.08 160.19 28.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.7 t -94.37 123.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.845 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.56 134.95 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.62 -13.49 62.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -110.61 30.61 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 88' ' ' ILE . 62.2 mt-10 -59.71 -25.91 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.979 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.92 -42.11 85.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -72.35 -23.18 61.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.79 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 85' ' ' GLU . 96.2 mt -69.95 139.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.26 -15.17 63.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -168.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -101.28 150.42 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.947 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -90.36 109.18 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -121.56 153.05 59.19 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 121.543 0.687 . . . . 0.0 111.007 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.01 158.82 56.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.1 tp -53.7 -31.36 47.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -66.21 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.419 ' HA ' HH12 ' A' ' 98' ' ' ARG . 98.3 mm-40 -118.28 25.26 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.25 144.06 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.419 HH12 ' HA ' ' A' ' 96' ' ' GLN . 90.6 mmt-85 -131.44 27.73 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.34 155.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -150.86 159.02 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -96.09 147.44 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.86 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -55.52 -29.65 59.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.0 -27.09 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -82.98 -42.47 17.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.99 -45.55 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.42 -40.2 77.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -54.92 -39.32 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -78.56 -34.46 47.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.32 -35.42 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.36 -35.04 76.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.36 -25.98 64.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 178.268 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 21.9 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.819 0.343 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -85.4 147.06 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HG3' HG23 ' A' ' 42' ' ' THR . 24.7 pt-20 -97.69 179.78 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -163.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.785 HD11 ' H ' ' A' ' 72' ' ' LEU . 3.6 mm? -94.44 88.88 5.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 66.7 p -104.64 157.36 34.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.129 172.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.2 Cg_endo -58.24 -29.53 87.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 0.0 112.408 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.72 -44.9 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.77 -30.28 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD21 HD12 ' A' ' 41' ' ' LEU . 91.2 mt -75.73 -40.07 56.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -64.66 -45.85 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.7 pp -65.83 -33.19 75.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.941 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -68.12 -53.82 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.73 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -72.53 -41.04 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 mmt -82.31 -11.42 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.771 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.45 94.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.53 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.27 133.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.0 p -121.13 155.86 57.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.509 0.671 . . . . 0.0 111.153 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.48 -16.34 53.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -70.89 -49.42 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.44 24.56 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.28 -50.83 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -56.07 -33.37 64.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -69.05 -49.95 52.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.989 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -65.54 -37.82 87.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -77.56 -49.92 13.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.804 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -71.95 -23.7 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.9 p -94.34 6.04 49.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.77 56.25 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t30 65.8 35.69 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 53.36 43.24 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 12.7 mmmm -91.37 92.25 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 173.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.785 ' H ' HD11 ' A' ' 41' ' ' LEU . 38.6 mt -114.22 140.26 48.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -122.88 149.42 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -167.9 152.66 6.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 66.8 t0 -154.1 92.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.31 25.08 56.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -155.56 -171.47 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -45.39 152.34 0.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 59.2 t -97.35 132.67 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 167.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -130.35 156.68 44.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -86.32 122.86 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 122.78 15.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.52 -15.9 45.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -113.23 19.57 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -58.08 -21.07 44.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 169.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.03 -48.74 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -77.82 -20.2 53.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 87.8 mt -73.2 138.47 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.27 19.1 36.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.535 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -114.13 161.59 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.02 82.92 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.5 pp -134.82 155.37 79.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.97 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 161.05 47.44 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.79 2.327 . . . . 0.0 112.427 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.51 -23.75 66.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.58 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -118.61 20.64 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.15 141.71 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.33 36.99 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.12 144.69 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -139.28 166.63 24.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -91.42 151.59 20.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -58.66 -32.07 68.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.2 -34.95 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.39 -43.89 80.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.4 -42.38 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.37 -40.3 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -62.52 -40.56 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -76.0 -33.58 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.61 -36.08 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.25 -29.61 70.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.26 -12.73 61.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -173.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.483 HG11 ' CH2' ' A' ' 80' ' ' TRP . 34.0 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.05 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -165.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -70.89 -175.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD21 ' H ' ' A' ' 72' ' ' LEU . 5.6 mp -120.76 78.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -175.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.457 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -73.64 158.42 86.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.571 0.7 . . . . 0.0 111.112 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.0 Cg_endo -69.28 -28.32 27.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.271 176.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HA ' HD23 ' A' ' 48' ' ' LEU . 76.9 mm-40 -78.8 -32.17 46.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 70' ' ' PHE . 59.9 tp -74.98 -47.14 30.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 95.3 mt-10 -54.83 -40.47 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -176.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.52 HD21 ' HH2' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -59.28 -28.16 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.053 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 46' ' ' LEU . 91.8 t80 -67.82 -53.28 28.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 64.7 pttt -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -57.29 -33.65 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.811 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.89 -47.17 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.2 -15.85 62.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.797 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.56 28.44 65.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.405 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 50' ' ' LYS . 97.0 mt -63.75 133.24 29.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 0.0 111.093 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.58 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 70.4 p -111.95 161.63 24.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 38.8 Cg_endo -65.84 -8.87 20.99 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.662 2.241 . . . . 0.0 112.264 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.22 -31.71 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -119.08 16.5 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.99 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -69.07 -46.87 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.56 -32.87 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -76.46 -32.64 58.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.74 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.3 p -68.88 -15.38 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -86.33 -48.16 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -88.62 13.59 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -172.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 t30 56.31 59.84 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.3 t30 63.74 34.41 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' HB3' HD11 ' A' ' 46' ' ' LEU . 90.7 m-85 50.49 39.63 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 3.0 tppp? -80.2 86.52 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 178.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 11.3 mt -121.77 147.94 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -176.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.864 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -134.34 146.35 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -178.146 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t -171.64 156.07 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.9 t0 -144.42 115.3 7.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 161.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.94 21.22 4.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 75' ' ' ASP . 96.7 mt-10 -139.32 -175.71 4.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -174.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.76 149.69 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 83.9 t -92.33 129.85 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.483 ' CH2' HG11 ' A' ' 38' ' ' VAL . 40.7 p90 -129.56 171.76 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 174.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.17 126.49 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.864 ' HB2' HD11 ' A' ' 73' ' ' LEU . 42.3 tt0 -57.29 135.82 56.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -178.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.47 -23.87 17.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -98.38 33.81 2.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 88' ' ' ILE . 98.3 mt-10 -62.9 -25.37 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -71.16 -14.62 62.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.496 ' HA ' ' HD2' ' A' ' 90' ' ' LYS . 62.0 m170 -99.83 20.68 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 85' ' ' GLU . 97.2 mt -106.02 143.05 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.23 19.08 79.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.472 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 62.2 mtpt -78.42 176.53 9.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 176.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -110.89 51.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 93' ' ' PRO . 2.3 pp -107.96 158.86 32.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 92' ' ' LEU . 58.8 Cg_endo -71.32 175.17 9.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 176.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . 95.8 mt -70.05 -21.69 63.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.2 -30.75 50.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -124.88 30.28 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' A' ' 94' ' ' LEU . . . -73.47 124.66 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -108.91 45.63 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.54 156.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -149.35 163.58 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -101.4 147.48 26.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.52 ' HH2' HD21 ' A' ' 48' ' ' LEU . 8.4 m95 -55.32 -30.11 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 172.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.94 -26.8 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -80.39 -41.04 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.0 -52.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.19 -48.72 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.74 -41.93 98.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -62.19 -42.86 99.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.3 -43.75 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.75 -35.15 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.73 -25.33 68.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -177.763 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.767 0.317 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -87.14 154.43 20.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.15 173.78 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -161.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.1 mm? -76.54 74.72 3.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.2 p -84.76 155.41 61.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 111.128 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -62.75 -27.9 75.91 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.787 2.325 . . . . 0.0 112.367 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -69.96 -46.2 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.03 -30.89 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' ' 70' ' ' PHE . 6.1 mp -79.44 -35.81 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -70.26 -47.91 59.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.717 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.3 pp -60.69 -28.78 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.472 ' N ' HD12 ' A' ' 48' ' ' LEU . 79.4 t80 -65.34 -59.49 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.19 -29.12 69.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -63.46 -52.65 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.954 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.56 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 tpp -67.44 -30.73 70.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.86 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.97 35.95 11.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.38 115.32 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.97 0.414 . . . . 0.0 111.063 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.467 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 48.5 p -90.44 158.44 43.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.1 Cg_endo -62.8 -18.28 63.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.74 -44.94 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -115.68 19.93 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -62.2 -43.46 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -62.71 -35.46 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -68.04 -43.08 79.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -71.6 -29.25 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.4 p -73.91 -21.93 59.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -70.39 -40.63 73.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.75 ' HB ' HD11 ' A' ' 72' ' ' LEU . 76.9 p -105.25 9.63 33.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -166.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.5 t30 54.58 56.77 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.4 t30 63.3 36.62 11.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.405 ' C ' HD12 ' A' ' 72' ' ' LEU . 98.8 m-85 53.17 47.48 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -177.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 16.1 tppt? -95.37 73.16 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.75 HD11 ' HB ' ' A' ' 67' ' ' THR . 3.5 mp -126.93 144.45 51.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -131.42 155.32 47.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -175.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 t -168.56 156.05 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -176.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -150.23 96.97 2.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 163.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.15 25.98 70.04 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.402 -174.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 94.8 mt-10 -139.46 -176.72 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.444 ' HD1' ' HB3' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -58.51 151.27 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 170.088 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' TRP . 52.9 t -104.66 120.3 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 175.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -131.67 153.68 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.63 124.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.664 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.5 tt0 -57.5 127.51 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.42 -16.47 61.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 170.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -102.02 24.48 9.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.08 -26.85 63.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 165.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -65.95 -16.48 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -106.43 10.58 31.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -120.71 147.3 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.74 5.72 77.6 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -169.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -92.95 165.51 12.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.683 0.278 . . . . 0.0 110.868 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 11.4 pm0 -80.1 57.78 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.48 142.84 25.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.8 176.25 3.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.635 2.223 . . . . 0.0 112.377 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.5 -23.61 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.41 -45.47 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -80.5 -21.86 41.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.68 135.23 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -106.33 28.15 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 172.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.34 143.78 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' VAL . 19.8 m-90 -142.14 169.07 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -93.3 153.68 18.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -56.77 -33.98 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.92 163.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.65 -38.78 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.28 -45.03 93.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.67 -44.36 85.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.49 -48.92 78.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -74.7 -29.99 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.24 -45.38 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.7 -35.79 75.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.0 -26.38 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 176.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -97.35 134.33 40.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 165.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -84.08 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -160.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.527 HD12 HD21 ' A' ' 46' ' ' LEU . 2.9 mm? -73.27 76.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 176.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.2 p -86.05 149.77 51.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.079 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.76 -27.73 81.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -70.45 -53.13 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.11 -34.31 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 HD12 ' A' ' 41' ' ' LEU . 87.4 mt -80.88 -41.23 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -173.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.23 -42.84 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -65.35 -27.25 68.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -67.8 -57.93 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.94 -27.24 68.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.19 -53.71 40.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.26 -37.17 80.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.6 tpp -70.1 -28.97 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.46 21.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.565 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.1 mt -75.56 117.42 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.472 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.4 p -93.66 158.91 35.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.637 0.732 . . . . 0.0 111.152 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -62.46 -13.64 34.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -80.64 -34.32 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -118.46 18.72 13.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.79 -48.45 74.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -63.01 -27.7 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.43 -40.85 73.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -73.99 -22.91 59.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.55 95.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 172.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.8 p -73.67 -25.37 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -69.1 -42.79 75.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.1 p -106.22 15.02 26.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -168.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.6 t30 54.75 60.28 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 65.17 34.55 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 50.45 43.44 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.32 66.59 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 75.8 mt -87.64 129.4 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.2 mt -123.33 155.87 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -159.48 150.29 19.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -146.75 89.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.814 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.54 21.35 62.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.409 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.79 -177.43 5.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.621 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.48 143.42 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 169.363 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 96.6 t -76.55 129.43 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -121.27 156.72 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -83.44 124.99 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -43.08 134.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.97 57.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.13 40.12 2.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.2 pm0 -59.93 -18.8 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.64 -34.72 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -85.39 -13.14 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -170.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.4 121.77 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -4.3 67.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.494 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.34 109.89 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.815 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -98.49 107.01 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.97 156.53 37.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.62 63.66 7.34 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.4 mt 57.7 28.65 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.82 -58.27 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.828 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -124.27 26.37 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.49 118.68 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -134.98 37.2 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.56 150.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -174.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -138.75 139.92 38.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 94.4 p -76.65 150.84 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -171.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -60.54 -30.44 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.56 -39.08 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.81 -45.23 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 98.1 mt -59.64 -43.89 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -65.09 -37.35 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.77 -40.83 96.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -72.8 -34.67 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.38 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -67.63 -34.24 76.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.86 -30.52 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 173.677 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -95.77 160.89 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.6 pt-20 -81.56 173.36 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -164.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.568 HD11 HD23 ' A' ' 73' ' ' LEU . 9.2 mp -108.63 104.56 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 175.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 69.2 p -91.87 157.92 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.4 Cg_endo -61.75 -28.99 82.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 174.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.42 -42.49 71.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 174.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -66.53 -38.35 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.09 -38.78 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.16 -46.74 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.1 pp -65.65 -24.16 66.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.406 ' N ' HD12 ' A' ' 48' ' ' LEU . 91.3 t80 -63.67 -57.58 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.5 -30.6 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.03 -49.18 71.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.82 73.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.4 tpp -65.54 -27.44 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.26 31.12 39.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -72.33 120.96 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 111.096 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.498 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.7 159.39 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 111.2 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 31.2 Cg_endo -60.83 -17.42 50.4 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -69.34 -48.22 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -111.15 22.97 14.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.96 -45.23 74.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -67.96 -27.53 66.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.43 -47.62 59.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.956 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -64.94 -33.09 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.03 90.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -75.91 -37.16 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -101.56 17.12 23.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -168.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 51.16 60.15 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 65.06 35.44 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.26 29.37 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -92.95 104.52 16.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 3.5 mp -131.49 145.05 51.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 41' ' ' LEU . 41.2 mt -120.07 156.22 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 79' ' ' VAL . 10.6 t -167.77 154.26 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 175.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.59 97.78 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.2 23.42 64.14 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.04 -177.06 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -172.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.454 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -61.1 150.62 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 168.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 89.7 t -85.01 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.6 p90 -127.56 158.52 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.77 131.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.25 128.48 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.37 -18.15 58.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.427 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -112.57 17.09 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -58.81 -15.5 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 167.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -35.5 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 168.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -74.95 -13.86 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.6 mt -56.21 125.3 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.198 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.06 12.1 66.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.503 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.43 110.39 16.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.904 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.31 103.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.3 mt -122.69 154.38 63.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.678 0.751 . . . . 0.0 110.917 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 166.39 22.95 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.562 2.175 . . . . 0.0 112.373 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.78 -25.32 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -72.37 -42.01 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.96 16.63 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.43 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -133.54 35.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.76 141.65 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.8 m-90 -142.88 146.95 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.872 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -79.05 147.77 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.27 -30.26 66.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 167.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -70.5 -33.37 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 174.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.87 -46.58 77.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.85 -41.61 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.04 -44.75 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 111' ' ' GLU . 98.0 m-20 -62.66 -36.04 81.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.819 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -67.91 -37.82 82.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 112' ' ' LEU . 96.1 mt -68.4 -33.12 73.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.02 -30.07 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 76.2 mm-40 -70.46 -29.23 65.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 109' ' ' LEU . 94.9 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.805 0.336 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 -98.63 152.53 19.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' HG3' HG23 ' A' ' 42' ' ' THR . 25.1 pt-20 -71.96 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -166.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.08 81.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' HG3' ' A' ' 40' ' ' GLU . 63.5 p -82.68 151.52 64.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.503 0.668 . . . . 0.0 111.14 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.11 -27.81 84.73 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -70.12 -42.47 72.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.76 -30.0 66.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.17 -34.9 56.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -70.03 -46.2 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.2 pp -63.72 -26.22 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -177.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.51 -58.64 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.49 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -64.51 -47.46 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.26 94.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -70.18 -21.65 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.7 55.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.08 127.99 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 111.078 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.3 p -103.27 158.35 31.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.598 0.713 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 35.0 Cg_endo -60.9 -14.27 31.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.408 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.25 -37.07 38.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -119.09 19.88 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.22 -46.62 76.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -63.85 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.81 -47.41 75.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.808 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -66.64 -39.23 88.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.32 71.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -79.1 -27.6 42.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -88.98 -30.76 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.454 ' HA ' HG21 ' A' ' 81' ' ' VAL . 72.0 p -90.32 -0.45 57.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.1 t30 57.74 59.64 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.2 t30 63.77 34.04 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 51.4 44.61 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 12.8 tptm -72.24 70.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 170.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 56.0 mt -97.22 137.47 36.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.983 -173.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -133.12 155.87 48.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 175.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 13.3 t -160.53 152.75 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -146.72 85.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.777 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 21.73 64.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.42 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -142.18 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -175.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.5 m0 -68.27 149.81 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 173.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 98.0 t -87.33 123.94 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 159.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.477 ' CZ3' ' HA ' ' A' ' 74' ' ' THR . 25.1 p90 -132.46 158.22 42.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -174.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.454 HG21 ' HA ' ' A' ' 67' ' ' THR . 87.6 t -82.97 127.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 172.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.723 ' HB2' HD11 ' A' ' 73' ' ' LEU . 85.1 tt0 -42.34 127.26 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.14 46.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.486 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -116.45 37.6 3.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.5 mp0 -61.08 -20.89 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 171.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -72.98 -4.01 29.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -107.79 12.52 27.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.925 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' A' ' 80' ' ' TRP . 87.7 mt -89.33 120.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.83 -14.93 64.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.98 172.31 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -117.42 105.65 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 96.9 mt -115.46 93.23 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 110.929 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 57.9 Cg_endo -65.66 -19.49 59.81 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.29 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.56 169.43 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -73.4 -4.86 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.31 -15.81 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.967 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.89 133.4 42.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.166 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -131.66 33.69 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.2 140.15 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -141.39 151.69 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 86.1 p -78.04 152.4 33.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -58.55 -33.7 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 170.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.69 -38.27 86.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -64.47 -45.75 86.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.02 -42.5 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.17 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -72.13 -37.74 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.61 -33.62 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.7 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.01 -20.95 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.5 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.3 pp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -175.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 73' ' ' LEU . 7.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.2 mmm-85 -93.22 142.87 26.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -75.41 179.45 5.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -163.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.63 HD22 ' HE2' ' A' ' 71' ' ' LYS . 5.4 mp -110.45 82.93 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 70.7 p -74.18 157.41 86.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.8 Cg_endo -62.91 -22.41 73.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 173.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -78.78 -43.48 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.16 -37.01 77.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 HD23 ' A' ' 41' ' ' LEU . 82.2 mt -71.07 -40.73 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.88 -41.11 68.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.622 HD12 ' C ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -67.15 -23.69 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.07 -58.75 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -65.34 -26.42 68.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.95 -47.69 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.819 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.18 90.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 mmt -82.28 -13.37 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.3 38.36 91.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.498 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.4 124.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 111.095 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.1 p -100.68 158.08 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.4 Cg_endo -60.16 -19.34 56.37 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.627 2.218 . . . . 0.0 112.327 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -69.33 -46.98 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.41 20.73 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -64.61 -51.25 63.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.852 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -64.51 -27.46 68.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.02 -43.16 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -68.78 -37.87 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.39 68.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -67.06 -47.31 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -80.31 -25.98 39.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.991 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -91.41 4.84 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.4 t30 53.63 58.22 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 65.12 35.17 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 50.22 39.69 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.63 ' HE2' HD22 ' A' ' 41' ' ' LEU . 3.1 mmpt? -89.25 71.66 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 172.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.533 ' N ' HD21 ' A' ' 41' ' ' LEU . 70.0 mt -88.9 135.89 33.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD22 HG21 ' A' ' 38' ' ' VAL . 65.1 mt -119.7 151.54 38.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -155.99 145.28 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -152.94 84.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 17.93 60.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -139.76 -178.95 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -176.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.586 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.49 143.52 53.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 172.366 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' TRP . 88.8 t -69.14 133.51 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.238 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -126.6 157.0 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.72 125.47 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.81 129.99 35.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.25 -12.86 55.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.7 38.06 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -62.32 -19.36 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -72.0 -7.87 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -107.87 10.13 28.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -80.96 126.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.64 8.13 77.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.555 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -98.75 149.76 22.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.685 0.278 . . . . 0.0 110.889 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -100.17 91.35 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -112.83 146.34 34.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -57.55 149.94 63.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.9 -32.51 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -74.8 -29.86 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -111.44 13.33 21.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.97 129.28 43.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -95.19 36.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 168.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.62 144.72 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.3 m-90 -136.44 146.28 46.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 16.6 t -70.87 145.47 50.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -61.38 -30.41 70.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -36.38 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.74 -44.47 93.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.11 -45.11 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.68 -38.82 92.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.84 -39.34 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -67.51 -39.3 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.483 HD11 HD13 ' A' ' 48' ' ' LEU . 85.8 mt -67.9 -33.19 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.03 -30.63 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.33 -34.21 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 174.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 177.51 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.768 0.318 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -82.62 149.97 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -88.06 177.4 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -164.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mp -103.01 97.31 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -174.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 p -107.91 155.37 40.08 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.181 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -60.14 -29.12 88.42 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.99 -45.04 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HA ' HD23 ' A' ' 48' ' ' LEU . 96.5 mt-10 -76.08 -29.24 57.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -75.27 -35.12 61.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.19 -53.04 34.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.629 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -56.21 -24.83 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -69.98 -58.95 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -68.82 -30.66 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.42 -47.8 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.0 tpp -69.56 -24.75 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.82 36.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.589 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.44 125.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -97.28 158.78 32.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 111.154 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -61.83 -17.87 57.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.751 2.301 . . . . 0.0 112.432 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.76 -46.91 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -113.57 23.14 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -65.96 -43.11 88.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -66.4 -33.23 75.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -66.54 -41.1 89.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -74.23 -36.06 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.88 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.1 p -71.3 -30.55 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -89.75 -30.78 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -88.05 10.21 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 t30 49.45 54.68 10.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 66.49 35.79 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 51.46 35.47 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -84.58 96.9 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 172.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 mt -117.81 132.18 56.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -166.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.1 mt -114.74 153.56 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -168.08 155.54 8.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -153.71 96.3 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.46 20.52 23.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -140.46 -178.09 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -57.85 152.31 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 172.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.28 135.25 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -128.34 159.64 34.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -87.92 127.09 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.09 127.56 29.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.13 -18.71 55.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -111.18 20.13 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.92 -21.51 63.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.876 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.491 ' HG3' ' CD2' ' A' ' 87' ' ' HIS . 25.3 pt-20 -92.79 1.28 57.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.491 ' CD2' ' HG3' ' A' ' 86' ' ' GLU . 51.0 m-70 -114.53 5.58 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.9 pt -111.06 157.81 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 -177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.61 10.52 85.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 -172.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -104.18 166.78 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 12.2 pm0 -83.51 57.6 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.96 153.91 37.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.02 -178.3 2.0 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.776 2.318 . . . . 0.0 112.251 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -76.47 -19.26 58.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.58 -35.99 45.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -99.42 14.85 28.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.07 142.14 38.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.12 23.36 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.95 147.18 9.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -144.61 155.53 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -91.35 148.02 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -174.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -57.16 -27.64 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.85 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -81.41 -42.96 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.8 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.03 -44.81 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.27 -39.5 78.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -58.97 -46.95 86.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -76.0 -35.67 59.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.3 -43.43 88.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.13 -28.41 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -57.31 -30.15 64.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 112' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.907 0.384 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -89.93 143.47 26.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -100.57 170.4 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -160.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD11 ' H ' ' A' ' 72' ' ' LEU . 1.8 mm? -76.82 79.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 60.2 p -79.21 158.56 74.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 111.186 167.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.4 Cg_endo -61.69 -25.9 79.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.296 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.52 -43.27 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -76.49 -28.93 56.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.45 -53.22 7.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.24 -37.43 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -171.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.639 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -66.47 -26.3 67.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -176.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -69.07 -57.27 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -64.12 -27.53 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -66.05 -46.23 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 174.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.41 67.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 tpp -67.78 -24.97 65.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.4 38.69 17.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.445 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.09 132.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.15 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -123.43 156.02 64.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.64 0.733 . . . . 0.0 111.185 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 60' ' ' TYR . 52.5 Cg_endo -66.85 -15.13 46.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.02 -48.35 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.15 26.26 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.482 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 92.3 t80 -63.52 -46.38 86.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.426 ' CE2' ' HG3' ' A' ' 62' ' ' GLN . 57.7 p-90 -65.55 -33.14 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' HG3' ' CE2' ' A' ' 61' ' ' TRP . 88.5 mt-30 -63.88 -48.07 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.031 174.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.3 -38.46 90.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.61 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -81.27 -32.88 33.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -89.48 -29.21 19.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.958 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 p -90.34 11.98 19.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 50.4 63.35 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.867 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.3 t30 59.78 36.15 22.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 54.06 37.3 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -95.62 91.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.539 ' H ' HD11 ' A' ' 41' ' ' LEU . 32.1 mt -108.23 137.57 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' A' ' 74' ' ' THR . 70.3 mt -128.02 151.38 49.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 73' ' ' LEU . 15.1 t 179.55 166.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 167.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -145.87 105.92 4.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.78 20.88 62.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.28 -178.12 5.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 -175.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -59.87 148.4 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 169.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' TRP . 91.5 t -79.24 137.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.064 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -131.13 160.77 33.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.62 131.13 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.4 134.08 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -1.54 86.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -123.09 31.47 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -58.6 -21.69 54.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 165.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.39 -30.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -94.85 38.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -106.59 128.18 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.14 26.32 58.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.434 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.26 169.43 10.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 178.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -101.67 35.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.509 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 70.5 mt -100.09 153.5 37.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.873 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.5 171.94 14.31 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.297 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.97 -30.11 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.03 -41.4 82.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -96.85 18.62 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.86 52.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -93.98 47.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 170.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.99 137.69 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' VAL . 4.3 m-90 -133.67 161.32 34.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.92 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 94.0 p -91.59 152.24 20.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.4 ' HZ3' HD11 ' A' ' 48' ' ' LEU . 9.9 m95 -59.28 -32.78 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 171.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.37 -36.08 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.987 0.422 . . . . 0.0 110.924 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.98 -44.44 89.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.42 -39.62 83.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -65.33 -37.85 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -70.8 -37.9 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.36 -35.81 82.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.85 -32.53 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.9 -20.67 62.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.973 177.006 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.511 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 70.0 m -145.53 80.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 165.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -61.61 -13.35 21.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -165.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.597 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 96.9 mt-10 -136.6 67.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 168.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.687 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 82.8 tttt 159.06 59.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -176.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.564 ' HG2' ' HG3' ' A' ' 35' ' ' GLU . 87.7 tt0 -165.71 -62.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -169.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG3' ' HG2' ' A' ' 34' ' ' GLU . 96.5 mt-10 -130.04 139.65 50.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -173.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -120.96 42.22 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 169.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -77.97 155.39 30.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -158.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.18 -176.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -75.49 138.12 41.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -173.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -83.01 -179.4 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -164.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 71' ' ' LYS . 34.9 mt -123.0 74.7 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -168.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 71.1 p -90.85 155.37 45.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.694 . . . . 0.0 111.107 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.53 -17.11 58.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.328 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -86.29 -46.02 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.01 -38.65 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 42' ' ' THR . 96.1 mt -66.93 -23.94 66.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -171.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 94.6 mt-10 -60.91 -30.66 70.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -176.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -63.57 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -177.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.31 -59.22 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 63.5 pttt -64.28 -26.0 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -63.21 -48.44 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.8 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.417 ' HB2' HG13 ' A' ' 55' ' ' ILE . 22.3 mmt -76.2 -16.26 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.57 36.09 75.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.544 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 53' ' ' MET . 97.2 mt -71.34 129.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.108 -171.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.512 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 36.7 p -98.06 159.93 29.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.7 Cg_endo -60.03 -18.81 52.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.365 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.3 -50.62 30.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -105.8 21.09 17.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 74.5 t80 -63.57 -54.29 38.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -63.22 -30.37 71.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -65.91 -45.48 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -71.08 -37.97 72.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.71 -27.65 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -75.35 -54.69 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -63.98 -26.62 68.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -96.63 2.62 52.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.6 t30 54.13 60.94 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 t30 66.49 35.75 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.422 ' O ' HD22 ' A' ' 46' ' ' LEU . 81.7 m-85 52.6 35.33 17.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HB3' HD13 ' A' ' 41' ' ' LEU . 67.1 mmtt -98.18 98.46 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB3' HG12 ' A' ' 79' ' ' VAL . 4.3 mp -128.66 129.23 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.0 mt -97.03 150.13 21.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -170.53 170.92 6.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 175.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 63.8 t0 -151.86 81.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 174.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.12 26.7 67.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' HG2' ' H ' ' A' ' 75' ' ' ASP . 12.7 pt-20 -147.78 -169.57 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -172.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 80' ' ' TRP . 32.7 p-90 -51.78 140.73 18.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 72' ' ' LEU . 57.7 t -101.89 144.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.44 ' HB3' ' CZ3' ' A' ' 78' ' ' TRP . 45.6 p90 -135.41 156.0 49.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.84 132.22 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -55.56 125.69 22.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.36 -11.67 65.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -115.25 7.03 15.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HA ' HG12 ' A' ' 88' ' ' ILE . 22.2 pm0 -63.33 -14.87 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 169.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -81.11 -14.05 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 171.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -108.03 27.77 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.477 HG12 ' HA ' ' A' ' 85' ' ' GLU . 51.1 mm -99.08 140.07 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.11 13.27 64.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -106.25 159.46 16.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -83.59 84.43 7.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 87.6 mt -118.28 142.08 30.64 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.961 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.59 176.31 5.15 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.72 -31.38 72.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.61 -30.98 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 99.8 mm-40 -102.88 -8.76 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.21 137.65 56.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -135.94 30.57 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.17 141.04 7.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -140.84 159.02 43.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -87.47 153.14 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -54.9 -30.43 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 168.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.47 -39.3 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.94 -41.43 78.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.7 -47.19 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -68.8 -32.23 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -55.52 -50.21 70.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -73.21 -37.46 66.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 tp -64.82 -39.34 93.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.8 -31.65 72.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.15 -30.21 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.877 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.4 mt -73.76 -30.82 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -73.04 130.11 39.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -177.835 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 95.3 p -83.05 -94.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.818 -149.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' ' 30' ' ' SER . 69.5 mm-40 52.33 -108.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -152.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' O ' ' A' ' 30' ' ' SER . 20.4 tp10 87.53 143.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 138.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.694 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 43.8 tptt -150.8 60.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 164.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.694 ' CB ' ' O ' ' A' ' 33' ' ' LYS . 85.1 tt0 141.99 47.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 154.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 18.2 tp10 -174.8 130.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 168.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.56 27.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -163.75 134.93 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.5 -178.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 162.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -102.62 140.29 37.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -79.1 176.74 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -164.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 41' ' ' LEU . 5.3 mp -83.69 91.59 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.8 p -95.15 153.17 39.8 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.683 0.754 . . . . 0.0 111.052 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -58.49 -28.33 85.08 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.529 2.153 . . . . 0.0 112.43 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.9 -49.01 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -69.39 -27.54 65.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.88 -39.65 16.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.81 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -65.25 -25.6 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -65.75 -59.21 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 55' ' ' ILE . 65.7 pttt -65.45 -26.96 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -64.75 -44.07 91.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.52 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.035 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -76.16 -13.21 60.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.54 32.99 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.538 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 50' ' ' LYS . 88.5 mt -75.15 124.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.926 0.393 . . . . 0.0 111.115 -171.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -102.89 158.79 31.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.7 0.762 . . . . 0.0 111.078 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.5 Cg_endo -59.99 -17.69 46.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.773 2.315 . . . . 0.0 112.31 175.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.75 -42.14 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.801 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -117.76 20.35 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -65.37 -50.11 66.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -61.95 -28.42 69.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.37 -46.13 70.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -66.62 -35.87 81.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.03 69.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.2 m -74.25 -40.95 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -83.47 -27.05 29.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.801 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -91.23 4.35 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.3 t30 53.54 58.14 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 64.84 34.12 9.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 52.71 38.44 26.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -87.17 93.74 9.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -119.81 132.24 55.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -168.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.4 mt -113.96 153.34 29.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 172.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 t -162.26 159.28 25.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -154.45 85.45 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 171.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.86 15.05 33.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -135.66 -127.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -173.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.7 m0 -75.39 145.37 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.902 171.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 98.7 t -93.52 116.65 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 159.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -124.18 158.26 32.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -170.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.1 t -84.18 127.06 40.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -49.61 126.6 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.96 -11.7 45.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -114.77 37.48 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.944 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.4 mp0 -52.98 -23.27 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -61.83 -42.29 98.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -80.25 -11.9 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -168.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.62 125.85 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.21 18.74 56.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.425 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 163.71 16.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 174.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -104.97 105.57 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -116.12 88.1 21.3 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.76 -16.81 33.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.62 2.213 . . . . 0.0 112.409 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.4 mt -86.51 179.62 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.84 -4.99 22.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.55 -10.45 59.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 132.28 22.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.018 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -132.73 17.36 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.15 143.21 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.5 m-90 -139.29 161.48 37.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 27.4 t -89.4 149.62 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -57.62 -31.94 66.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 166.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -71.5 -34.3 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -67.58 -43.32 80.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.8 -42.61 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -63.74 -39.43 94.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.55 -34.32 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.978 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -67.83 -41.43 83.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.7 mt -64.83 -34.49 78.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.52 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -73.16 -29.18 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.42 -39.05 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -94.96 92.33 6.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.675 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -70.01 106.93 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.832 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -164.7 -88.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.884 169.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -67.3 132.72 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -155.77 124.59 6.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -158.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -128.26 145.18 51.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.793 -137.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -103.95 104.1 14.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 165.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.45 60.09 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -162.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.79 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -74.38 80.79 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 175.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 30.3 m -158.17 178.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.142 -165.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -91.28 159.17 16.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.745 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 42' ' ' THR . 24.4 pt-20 -75.51 -179.3 4.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 -165.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 5.8 mp -111.56 81.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 40' ' ' GLU . 64.1 p -79.32 154.9 76.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 111.188 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.88 -27.36 80.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.23 -46.74 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.39 -32.6 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.6 -42.81 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.26 -41.39 73.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.689 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.7 pp -64.45 -28.52 69.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 178.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' N ' HD12 ' A' ' 48' ' ' LEU . 70.8 t80 -66.54 -56.39 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.26 -28.44 69.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -66.36 -51.59 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.858 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.32 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.7 tpp -68.21 -28.33 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.23 33.61 22.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.489 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.5 mt -77.89 127.92 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' TYR . 44.8 p -112.05 160.03 31.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.519 0.676 . . . . 0.0 111.194 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -59.26 -14.18 23.2 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.756 2.304 . . . . 0.0 112.418 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.02 -38.67 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -115.99 17.8 15.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' THR . 90.7 t80 -64.72 -48.55 74.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -62.19 -29.7 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -67.99 -44.47 76.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -72.6 -25.64 61.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.47 86.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p -80.88 -23.58 38.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.809 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -71.34 -46.96 59.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 p -96.23 11.35 34.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.3 t30 52.01 60.51 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 67.71 35.35 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 51.47 42.93 29.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.751 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 10.1 mmpt? -82.51 52.96 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.829 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.517 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 87.4 mt -75.13 139.54 42.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -139.08 156.41 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 177.395 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.9 t -166.58 155.41 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.0 t0 -145.55 91.42 2.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 174.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.69 22.88 66.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.49 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -140.98 -177.12 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -58.95 153.26 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 166.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.517 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 99.1 t -86.84 139.17 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -135.11 156.82 48.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.4 t -81.92 130.61 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.645 ' HB2' HD11 ' A' ' 73' ' ' LEU . 89.1 tt0 -46.68 129.65 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.972 172.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.72 -19.31 55.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -108.74 35.41 3.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 110.93 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.03 -17.27 51.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 160.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.61 -18.04 50.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 167.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 90' ' ' LYS . 63.0 m170 -115.11 41.77 2.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -172.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.67 117.32 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.16 18.33 59.42 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 8.4 mptt -107.72 140.22 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.943 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -85.07 85.41 7.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.3 mt -116.99 152.08 48.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.022 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ALA . 59.8 Cg_endo -71.25 162.09 43.62 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.737 2.291 . . . . 0.0 112.369 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.4 -29.77 66.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.55 -38.63 77.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -101.18 7.85 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -82.16 141.75 32.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.84 35.74 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.01 142.89 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -141.95 151.35 42.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.988 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.9 p -84.29 151.47 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.844 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -58.74 -30.25 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 170.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.62 -35.62 77.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -64.63 -48.16 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.6 mt -57.34 -42.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -66.33 -40.41 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.28 -39.69 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -72.01 -34.6 68.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.88 -32.78 72.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.76 -34.25 77.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.73 -21.06 64.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.66 -3.56 56.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.1 36.09 26.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -178.186 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.0 t 177.83 103.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -164.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -162.23 149.78 14.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.888 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 63.0 mt-10 -93.22 -169.94 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 170.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -85.84 -68.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -45.47 -58.67 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -172.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -121.92 118.92 30.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 32' ' ' GLU . 54.4 pttt -117.65 28.85 8.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 -168.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 38' ' ' VAL . 22.2 ptmt -121.73 -27.49 4.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -176.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG21 HD23 ' A' ' 73' ' ' LEU . 30.2 m -154.54 177.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -99.91 155.54 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 162.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 42' ' ' THR . 25.4 pt-20 -70.0 169.83 12.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -162.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD11 ' HG ' ' A' ' 73' ' ' LEU . 10.9 mp -112.2 84.94 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 40' ' ' GLU . 53.5 p -81.45 155.29 71.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.169 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -61.36 -27.46 82.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.775 2.317 . . . . 0.0 112.289 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -71.33 -39.73 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -68.8 -33.96 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.62 -37.01 28.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -65.85 -48.93 69.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.65 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.7 pp -64.34 -23.96 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' A' ' 53' ' ' MET . 82.9 t80 -68.09 -61.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 174.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -63.47 -25.11 68.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -71.11 -56.37 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.67 91.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 49' ' ' PHE . 98.0 mmm -76.13 -7.03 53.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.03 44.53 23.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.422 171.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.5 mm -69.71 127.18 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.185 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.1 p -115.99 156.82 46.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.184 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.21 -18.72 61.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.85 -36.19 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -109.29 22.64 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -60.31 -51.08 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -76.22 -28.63 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.96 -46.23 85.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.836 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -70.3 -41.9 72.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.74 67.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -69.52 -48.38 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -77.35 -24.62 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.88 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -94.97 4.47 53.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.1 t30 50.4 62.7 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.1 t30 64.66 36.69 8.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 55.45 39.65 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HE3' HD22 ' A' ' 41' ' ' LEU . 37.8 tptt -107.35 104.69 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 175.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.66 150.06 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.462 HD23 HG21 ' A' ' 38' ' ' VAL . 4.3 mp -124.95 156.8 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.002 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.447 ' HB ' HG22 ' A' ' 79' ' ' VAL . 8.8 t -150.01 139.71 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -175.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 58.7 t0 -144.04 83.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.62 24.61 66.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.02 -173.73 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.852 -176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.74 152.29 19.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 175.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 74' ' ' THR . 70.4 t -84.07 125.32 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 -177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 18.0 p90 -114.52 152.63 31.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.5 135.23 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.73 132.06 40.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.58 -11.75 63.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.75 31.1 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.889 0.375 . . . . 0.0 110.995 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -61.25 -19.77 62.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -63.18 -33.27 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -81.97 -5.13 58.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 125.08 19.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.37 12.87 62.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -118.88 146.97 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.624 0.249 . . . . 0.0 110.899 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -97.13 98.35 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.8 mt -103.46 148.02 35.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 110.935 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.49 161.34 46.39 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.367 177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.5 -30.37 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.77 -30.59 70.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.973 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -120.6 26.2 9.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.01 137.33 40.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.6 27.16 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 174.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.95 145.7 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -140.02 144.69 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.5 p -75.58 150.99 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -60.49 -30.82 69.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 170.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.44 -40.03 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -65.16 -45.89 83.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -57.04 -42.2 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -65.66 -38.55 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.41 -36.78 78.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -77.15 -34.46 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.81 -34.05 77.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 173.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.83 -30.97 71.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -75.51 -7.93 55.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -107.61 19.09 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -80.77 70.21 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -153.54 -46.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 171.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.49 -11.25 14.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 164.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.521 ' O ' ' HA2' ' A' ' 29' ' ' GLY . 72.7 mm-40 -128.58 -178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 176.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -108.52 97.06 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 151.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -153.28 -178.98 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -167.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -108.78 141.89 40.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -84.18 33.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -75.54 126.09 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -175.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 33.8 m -134.0 176.39 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -171.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.8 mmm-85 -93.24 148.53 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.3 pt-20 -75.31 178.1 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -164.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.2 mp -105.67 99.54 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 71.2 p -88.64 158.25 48.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.693 . . . . 0.0 111.188 175.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 38.3 Cg_endo -61.82 -29.24 82.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 174.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -71.73 -41.34 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.005 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.71 -35.81 77.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.71 -39.5 26.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.72 -41.75 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.5 pp -66.71 -25.16 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.453 ' N ' HD12 ' A' ' 48' ' ' LEU . 90.6 t80 -66.22 -59.14 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.64 -27.77 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.63 -43.82 83.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.81 76.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.411 ' HB2' HG13 ' A' ' 55' ' ' ILE . 25.4 mmt -76.08 -21.59 56.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.883 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.57 32.42 64.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' A' ' 53' ' ' MET . 98.5 mt -65.05 117.83 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.399 . . . . 0.0 111.086 -169.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.505 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 69.0 p -88.09 160.11 46.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.522 0.677 . . . . 0.0 111.174 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 45.8 Cg_endo -62.76 -13.11 32.26 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 173.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.38 -39.61 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -114.2 20.05 15.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -65.02 -49.15 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE2' ' HG3' ' A' ' 62' ' ' GLN . 55.2 p-90 -63.3 -31.94 73.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 61' ' ' TRP . 88.8 mt-30 -65.76 -48.97 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -65.98 -31.52 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.767 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -29.86 70.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.026 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -82.82 -31.0 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -174.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -87.94 -29.17 21.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.871 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.8 p -88.15 7.79 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 49.85 65.0 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 63.86 33.44 12.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 54.94 33.34 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -95.68 98.87 10.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mp -124.81 146.63 49.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -130.79 157.3 43.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.8 t -167.84 155.85 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.5 t0 -142.53 93.91 2.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 172.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 24.63 62.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -145.87 -170.37 3.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -171.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.465 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -64.22 150.71 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 174.356 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.78 136.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -129.68 160.82 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.85 133.78 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.661 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.8 tt0 -53.89 131.4 39.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.56 -14.79 62.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -107.56 40.19 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.979 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.2 mp0 -56.76 -26.29 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.482 ' HG3' ' CD2' ' A' ' 87' ' ' HIS . 25.2 pt-20 -65.01 -4.44 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 173.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.482 ' CD2' ' HG3' ' A' ' 86' ' ' GLU . 59.5 m170 -116.5 21.68 13.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 89.0 mt -103.78 115.88 46.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.33 -14.23 63.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 -175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 10.2 mptt -81.51 -179.83 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -136.06 62.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.1 mt -89.51 154.61 48.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.974 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -67.28 159.61 51.47 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.747 2.298 . . . . 0.0 112.362 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -47.5 -42.08 22.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.99 -37.89 80.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -104.58 14.8 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.07 137.96 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -133.25 39.3 3.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.23 139.3 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -137.61 165.76 25.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -94.49 150.18 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -58.01 -31.17 66.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 167.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.56 -34.34 74.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -67.79 -43.72 79.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 173.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.87 -43.95 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -64.96 -39.14 93.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -73.31 -36.13 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.82 -31.37 72.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.29 -34.13 72.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.66 -26.41 65.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.4 pp -109.16 1.45 20.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -66.32 -31.48 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 p -136.79 84.45 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -136.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -76.98 48.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 167.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -169.07 130.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -77.93 -69.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -162.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -167.92 166.92 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 -171.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -89.91 8.55 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 63.69 28.23 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -139.97 5.22 2.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.956 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 m -158.99 172.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -162.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -88.56 145.81 25.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.71 171.36 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.4 mp -88.27 97.04 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 172.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -92.61 151.2 40.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -60.57 -27.75 85.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.249 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -69.45 -53.47 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.31 -31.98 73.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 41' ' ' LEU . 84.6 mt -80.25 -43.24 21.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -175.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.82 -42.4 73.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.572 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.0 pp -65.06 -25.27 67.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -69.72 -58.16 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -65.49 -27.11 68.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.64 -51.67 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.019 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.57 -13.49 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.81 39.25 97.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.3 mt -70.91 120.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.949 0.404 . . . . 0.0 111.199 -171.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.18 158.43 32.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.7 Cg_endo -62.49 -12.99 30.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -83.39 -26.35 30.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -127.78 18.6 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.71 -46.84 83.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -62.08 -27.26 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.67 -44.19 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -72.74 -27.73 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.56 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.7 p -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -72.33 -45.29 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -95.21 16.88 15.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 49.8 59.35 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.978 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.4 t30 64.1 34.83 10.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 51.79 43.94 29.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.7 mmmm -95.28 73.16 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 172.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.1 mt -89.31 131.03 35.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -175.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.9 mt -118.77 154.58 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.9 t -157.62 154.28 28.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -154.18 89.56 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.84 63.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -147.59 -168.26 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -172.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.468 ' CB ' ' HA ' ' A' ' 101' ' ' SER . 0.5 OUTLIER -57.75 161.31 3.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 169.357 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.85 130.36 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -123.71 154.48 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.14 130.87 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.39 127.88 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 102.03 -13.6 57.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.638 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -119.36 19.97 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -60.55 -18.39 52.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.27 -37.77 75.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -80.75 -6.64 58.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -171.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.16 125.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.75 5.62 59.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.444 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.79 140.02 39.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -88.59 92.59 9.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.66 132.76 20.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.708 0.766 . . . . 0.0 110.845 -175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.91 56.1 5.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.452 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 80.4 mt 54.31 29.23 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -87.32 -66.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -112.0 18.41 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.74 129.55 42.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.85 39.2 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.57 139.52 19.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.05 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -132.91 131.82 41.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 87.3 p -65.83 150.13 49.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.71 -41.43 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.02 -44.5 92.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.16 -41.5 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.28 -42.97 96.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.807 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -62.62 -35.16 78.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.88 -39.65 93.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.07 -29.46 61.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -67.25 -29.12 68.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.26 -14.22 62.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.81 27.26 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -62.47 133.89 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -177.274 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.635 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 97.8 p -104.95 146.89 28.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 158.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -103.84 75.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 158.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.635 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 20.7 pt-20 -178.15 -167.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.75 34.02 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 160.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 69.6 mm-40 -101.41 171.22 7.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 157.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.56 120.91 38.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 167.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -115.26 30.68 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.61 162.81 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -159.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.22 170.28 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -88.69 165.58 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.5 pt-20 -89.97 -177.55 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -173.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.0 mm? -100.78 91.86 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 176.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -96.16 160.09 30.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.142 171.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.3 Cg_endo -66.82 -32.37 36.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 175.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -71.27 -41.12 70.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 75.7 mm-40 -71.1 -37.51 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.7 tt -73.37 -34.29 65.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 88.8 tt0 -59.13 -45.88 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.3 pp -67.04 -27.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -70.13 -53.55 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.5 pttt -68.76 -30.69 69.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -68.54 -43.78 75.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.25 -38.1 63.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.6 tpp -68.45 -17.63 64.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 36.92 45.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.99 121.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.107 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 72.6 p -103.23 159.83 28.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.548 0.69 . . . . 0.0 111.242 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 51.7 Cg_endo -68.12 -12.58 35.56 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.763 2.309 . . . . 0.0 112.228 177.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -77.53 -33.97 54.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -120.49 26.64 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -70.81 -33.15 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.47 -44.7 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.01 -44.8 94.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -71.2 -30.62 66.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.59 83.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -71.73 -23.46 61.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.5 -38.2 49.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -97.62 14.31 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 49.81 64.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.5 t30 62.78 38.01 12.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 50.18 37.63 15.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HD2' ' HG ' ' A' ' 41' ' ' LEU . 12.9 mmmm -95.77 95.82 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 174.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.55 132.3 48.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -129.47 142.56 50.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -170.337 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.515 HG21 HG22 ' A' ' 79' ' ' VAL . 12.2 t -172.47 157.02 3.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -135.89 115.34 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.877 169.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 22.29 10.66 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.37 -178.4 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.773 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.49 151.48 46.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG22 HG21 ' A' ' 74' ' ' THR . 86.1 t -91.43 133.94 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 44.1 p90 -128.97 166.94 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.4 t -93.64 126.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.177 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.615 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.32 137.79 28.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.98 -21.94 43.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -104.87 31.68 4.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.54 -25.08 67.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.28 -37.89 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 174.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -67.7 -21.61 65.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.06 136.24 26.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.71 19.46 63.58 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -127.91 121.54 30.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.705 0.288 . . . . 0.0 110.882 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.24 100.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.41 158.99 35.68 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 111.007 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 96' ' ' GLN . 23.2 Cg_exo -66.35 179.48 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.399 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.57 -27.11 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.55 -23.83 62.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.495 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 98.6 mm-40 -119.33 31.98 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.25 119.76 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -104.6 12.39 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.45 150.37 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -145.14 127.74 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -71.57 157.01 38.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -63.73 -33.36 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 174.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.13 -29.26 69.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -78.37 -42.53 30.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.0 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.19 -39.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.148 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 61.6 mtpt -69.45 -35.91 76.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -69.51 -39.14 77.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -65.45 -43.49 90.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 tp -58.02 -46.76 84.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 106' ' ' LYS . 61.5 mtpt -61.09 -36.18 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.92 -21.73 66.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.1 tp -71.26 -26.03 62.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -91.05 95.94 10.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.765 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' C ' ' A' ' 31' ' ' GLU . 47.7 m 65.62 20.24 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -157.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.598 ' C ' ' O ' ' A' ' 30' ' ' SER . 88.6 tt0 15.9 65.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 -173.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -162.85 -19.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 165.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -162.58 167.23 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -176.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -130.69 32.85 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 170.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.75 148.22 41.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.37 -19.17 34.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -79.27 137.4 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.08 -178.85 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -93.58 150.51 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -78.86 179.95 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -168.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 71' ' ' LYS . 6.6 mp -98.57 75.13 2.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -71.37 151.04 94.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.603 0.716 . . . . 0.0 111.147 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -59.39 -27.61 85.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.576 2.184 . . . . 0.0 112.386 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -68.71 -48.98 62.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -67.37 -30.1 69.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -176.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.8 -43.99 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -67.34 -40.96 85.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.2 pp -68.13 -25.23 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -72.14 -54.11 10.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -64.85 -24.96 67.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -76.1 -35.27 59.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.04 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.2 mmt -92.54 -18.63 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.43 46.0 57.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 94.3 mt -73.09 125.22 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 111.165 -171.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.496 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.5 p -104.41 159.5 29.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.095 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 28.0 Cg_endo -58.51 -20.84 51.36 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.675 2.25 . . . . 0.0 112.368 176.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.49 -48.4 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.47 23.05 14.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -64.03 -48.08 77.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -72.14 -20.49 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -75.12 -37.21 61.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.96 174.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -78.46 -24.96 45.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.4 p -76.94 -25.94 53.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 176.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -71.3 -39.91 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -105.16 12.87 31.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 -169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 56.3 t30 52.36 60.06 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 66.6 35.96 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 53.9 43.13 31.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 41' ' ' LEU . 11.9 mmmm -99.3 91.92 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 174.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.7 mt -112.33 131.49 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.3 mt -114.95 154.17 29.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.464 ' HB ' HG22 ' A' ' 79' ' ' VAL . 14.8 t -158.31 150.7 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -176.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -159.19 86.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 173.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.77 23.8 69.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -154.7 -173.13 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.923 -170.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.663 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.4 OUTLIER -56.58 137.18 54.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 173.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 74' ' ' THR . 62.6 t -74.78 131.17 35.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 173.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -126.54 153.97 44.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.0 t -77.23 125.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.159 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.86 133.35 55.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.46 -6.38 33.8 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -129.04 59.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.993 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.29 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.926 166.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -70.05 -11.05 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 174.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -107.29 4.02 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.3 mt -88.82 122.28 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.84 -8.47 65.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.69 156.67 17.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -178.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -103.35 96.53 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.15 145.46 32.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.979 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 97' ' ' ALA . 60.3 Cg_endo -68.45 154.4 71.9 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.718 2.279 . . . . 0.0 112.348 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.74 -31.06 57.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -173.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.67 -41.01 76.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -109.12 14.28 24.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . -79.22 135.24 36.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.97 28.23 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 166.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 79' ' ' VAL . . . -158.82 135.63 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 176.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -133.74 142.44 47.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 84.5 p -71.99 150.75 43.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.726 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -59.59 -30.37 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.79 -50.07 72.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.53 -43.84 98.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.82 -48.34 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -70.02 -34.79 73.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.99 -41.39 99.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -80.05 -32.19 39.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.4 -39.33 81.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.39 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -76.53 -29.88 56.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 173.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -105.64 36.77 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -158.51 137.34 11.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.441 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 t -102.36 104.64 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.802 -160.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.9 149.38 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.976 171.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.589 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 97.6 mt-10 -101.29 -15.64 17.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 75.9 mmtt 77.28 50.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -104.54 173.99 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.888 156.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -101.57 109.6 21.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 171.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -111.96 76.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -175.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.07 128.95 38.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.5 169.15 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.37 172.11 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 168.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' HG23 ' A' ' 42' ' ' THR . 16.3 pt-20 -88.45 173.79 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -169.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD11 ' HG ' ' A' ' 73' ' ' LEU . 9.0 mp -112.65 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -177.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 63.7 p -88.08 160.5 46.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.533 0.682 . . . . 0.0 111.174 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.3 Cg_endo -61.26 -28.61 85.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 174.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.68 -39.24 84.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -70.47 -37.42 74.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.24 -37.0 63.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 96.7 mt-10 -66.39 -48.42 70.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.6 pp -65.16 -26.97 68.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.61 -56.32 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 47' ' ' GLU . 64.7 pttt -64.68 -28.96 69.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.791 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.35 -56.01 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.831 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.52 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.2 tpp -73.15 -18.97 61.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.4 56.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.545 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.63 131.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.961 0.41 . . . . 0.0 111.066 -174.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 60.0 p -125.7 158.84 63.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 175.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 43.2 Cg_endo -64.45 -14.27 43.25 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -72.24 -30.54 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -132.64 26.48 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -66.68 -38.23 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -68.18 -41.42 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -60.83 -48.73 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.965 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' A' ' 67' ' ' THR . 69.6 m95 -66.68 -37.04 83.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 177.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.31 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -82.21 -40.83 21.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -81.77 -24.87 35.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 63' ' ' TRP . 74.2 p -96.51 8.63 43.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -174.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.3 t30 50.39 54.69 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.3 t30 64.41 40.07 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 51.94 37.28 20.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -94.97 95.12 8.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.76 147.0 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.845 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -133.4 149.94 51.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -173.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.477 ' HA ' ' CH2' ' A' ' 80' ' ' TRP . 13.1 t -172.64 161.9 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 175.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -137.94 109.95 7.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.07 23.48 39.59 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.441 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -140.33 -176.75 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -61.04 153.91 24.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.2 t -92.5 126.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 74' ' ' THR . 35.0 p90 -124.08 160.19 28.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.7 t -94.37 123.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.845 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.9 tt0 -52.56 134.95 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -177.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.62 -13.49 62.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.459 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -110.61 30.61 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.948 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 88' ' ' ILE . 62.2 mt-10 -59.71 -25.91 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.979 172.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.92 -42.11 85.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -72.35 -23.18 61.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.79 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 85' ' ' GLU . 96.2 mt -69.95 139.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.26 -15.17 63.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -168.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -101.28 150.42 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.947 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -90.36 109.18 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.9 mt -121.56 153.05 59.19 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 121.543 0.687 . . . . 0.0 111.007 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.01 158.82 56.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.368 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.1 tp -53.7 -31.36 47.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -66.21 -33.84 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.419 ' HA ' HH12 ' A' ' 98' ' ' ARG . 98.3 mm-40 -118.28 25.26 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.25 144.06 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.419 HH12 ' HA ' ' A' ' 96' ' ' GLN . 90.6 mmt-85 -131.44 27.73 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.34 155.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -150.86 159.02 44.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.006 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -96.09 147.44 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.86 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -55.52 -29.65 59.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -65.0 -27.09 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -82.98 -42.47 17.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.99 -45.55 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.42 -40.2 77.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -54.92 -39.32 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -78.56 -34.46 47.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.32 -35.42 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.039 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.36 -35.04 76.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.36 -25.98 64.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.33 -28.03 42.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.789 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -85.45 98.06 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.004 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -178.454 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 93.3 p -90.71 -132.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.813 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 88.6 tt0 -173.54 53.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 155.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' A' ' 33' ' ' LYS . 88.3 tt0 -149.98 -80.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' A' ' 32' ' ' GLU . 97.4 mttt -124.51 175.28 7.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -96.23 161.85 13.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.6 143.52 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -174.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.17 77.31 0.52 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -105.25 157.76 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . 21.9 m -75.77 168.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.191 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -85.4 147.06 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HG3' HG23 ' A' ' 42' ' ' THR . 24.7 pt-20 -97.69 179.78 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -163.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.785 HD11 ' H ' ' A' ' 72' ' ' LEU . 3.6 mm? -94.44 88.88 5.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 66.7 p -104.64 157.36 34.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.606 0.717 . . . . 0.0 111.129 172.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.2 Cg_endo -58.24 -29.53 87.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 0.0 112.408 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -68.72 -44.9 72.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.77 -30.28 68.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD21 HD12 ' A' ' 41' ' ' LEU . 91.2 mt -75.73 -40.07 56.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -64.66 -45.85 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.7 pp -65.83 -33.19 75.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.941 -174.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -68.12 -53.82 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.73 -24.62 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.1 ttt180 -72.53 -41.04 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.9 mmt -82.31 -11.42 58.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.771 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.5 40.45 94.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.53 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.27 133.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.844 0.354 . . . . 0.0 111.103 -171.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.0 p -121.13 155.86 57.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.509 0.671 . . . . 0.0 111.153 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -65.48 -16.34 53.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -70.89 -49.42 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.44 24.56 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -64.28 -50.83 66.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -56.07 -33.37 64.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -69.05 -49.95 52.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.989 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -65.54 -37.82 87.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.97 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.1 t -77.56 -49.92 13.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.804 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -71.95 -23.7 61.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.9 p -94.34 6.04 49.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.77 56.25 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t30 65.8 35.69 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 53.36 43.24 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 12.7 mmmm -91.37 92.25 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 173.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.785 ' H ' HD11 ' A' ' 41' ' ' LEU . 38.6 mt -114.22 140.26 48.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.1 mt -122.88 149.42 44.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -167.9 152.66 6.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 66.8 t0 -154.1 92.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.31 25.08 56.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -155.56 -171.47 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -45.39 152.34 0.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 59.2 t -97.35 132.67 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 167.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -130.35 156.68 44.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -86.32 122.86 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.31 122.78 15.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.52 -15.9 45.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -113.23 19.57 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -58.08 -21.07 44.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 169.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.03 -48.74 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -77.82 -20.2 53.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 87.8 mt -73.2 138.47 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.27 19.1 36.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.535 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -114.13 161.59 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -79.02 82.92 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.5 pp -134.82 155.37 79.41 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 110.97 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.36 161.05 47.44 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.79 2.327 . . . . 0.0 112.427 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.51 -23.75 66.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.58 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -118.61 20.64 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.15 141.71 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.33 36.99 4.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -168.12 144.69 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -139.28 166.63 24.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -91.42 151.59 20.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -58.66 -32.07 68.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 171.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.2 -34.95 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.39 -43.89 80.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.4 -42.38 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.37 -40.3 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -62.52 -40.56 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -76.0 -33.58 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.61 -36.08 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 177.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -65.25 -29.61 70.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.26 -12.73 61.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.8 mt -101.11 16.16 26.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -70.33 -56.5 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.986 -179.351 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.3 p -90.73 161.03 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 -171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.32 113.2 20.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 -148.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -111.52 -60.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.45 96.08 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -169.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -124.43 117.97 25.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' A' ' 37' ' ' LYS . 96.0 mt-10 -134.55 161.58 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 -157.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.85 69.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 -169.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' A' ' 35' ' ' GLU . 22.5 ptmt -55.61 178.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 175.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.483 HG11 ' CH2' ' A' ' 80' ' ' TRP . 34.0 m -43.96 158.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -160.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.05 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -165.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -70.89 -175.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 -175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD21 ' H ' ' A' ' 72' ' ' LEU . 5.6 mp -120.76 78.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -175.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.457 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 68.7 p -73.64 158.42 86.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.571 0.7 . . . . 0.0 111.112 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.0 Cg_endo -69.28 -28.32 27.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.271 176.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HA ' HD23 ' A' ' 48' ' ' LEU . 76.9 mm-40 -78.8 -32.17 46.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 70' ' ' PHE . 59.9 tp -74.98 -47.14 30.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -177.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 95.3 mt-10 -54.83 -40.47 69.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -176.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.52 HD21 ' HH2' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -59.28 -28.16 66.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.053 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 46' ' ' LEU . 91.8 t80 -67.82 -53.28 28.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 64.7 pttt -63.58 -39.53 94.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -57.29 -33.65 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.811 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.89 -47.17 19.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.2 -15.85 62.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.797 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.56 28.44 65.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.405 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 50' ' ' LYS . 97.0 mt -63.75 133.24 29.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.951 0.405 . . . . 0.0 111.093 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.58 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 70.4 p -111.95 161.63 24.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 38.8 Cg_endo -65.84 -8.87 20.99 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.662 2.241 . . . . 0.0 112.264 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -84.22 -31.71 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -119.08 16.5 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.99 177.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -69.07 -46.87 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.56 -32.87 74.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -76.46 -32.64 58.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.19 -49.74 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.3 p -68.88 -15.38 63.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -86.33 -48.16 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -88.62 13.59 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -172.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 t30 56.31 59.84 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.3 t30 63.74 34.41 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' HB3' HD11 ' A' ' 46' ' ' LEU . 90.7 m-85 50.49 39.63 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 3.0 tppp? -80.2 86.52 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 178.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 11.3 mt -121.77 147.94 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -176.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.864 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -134.34 146.35 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -178.146 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.3 t -171.64 156.07 4.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . 67.9 t0 -144.42 115.3 7.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 161.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.94 21.22 4.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 75' ' ' ASP . 96.7 mt-10 -139.32 -175.71 4.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -174.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.76 149.69 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 83.9 t -92.33 129.85 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.483 ' CH2' HG11 ' A' ' 38' ' ' VAL . 40.7 p90 -129.56 171.76 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 174.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.17 126.49 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.864 ' HB2' HD11 ' A' ' 73' ' ' LEU . 42.3 tt0 -57.29 135.82 56.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -178.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.47 -23.87 17.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -98.38 33.81 2.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 88' ' ' ILE . 98.3 mt-10 -62.9 -25.37 68.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 173.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -71.16 -14.62 62.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.496 ' HA ' ' HD2' ' A' ' 90' ' ' LYS . 62.0 m170 -99.83 20.68 13.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 85' ' ' GLU . 97.2 mt -106.02 143.05 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.23 19.08 79.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.472 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 62.2 mtpt -78.42 176.53 9.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 176.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -110.89 51.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 93' ' ' PRO . 2.3 pp -107.96 158.86 32.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.94 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 92' ' ' LEU . 58.8 Cg_endo -71.32 175.17 9.72 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 176.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . 95.8 mt -70.05 -21.69 63.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.2 -30.75 50.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.882 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -124.88 30.28 5.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.967 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.514 ' HB2' ' HA ' ' A' ' 94' ' ' LEU . . . -73.47 124.66 26.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -108.91 45.63 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -175.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.54 156.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -149.35 163.58 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -101.4 147.48 26.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.52 ' HH2' HD21 ' A' ' 48' ' ' LEU . 8.4 m95 -55.32 -30.11 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 172.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.94 -26.8 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -80.39 -41.04 25.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.0 -52.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.19 -48.72 80.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.74 -41.93 98.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -62.19 -42.86 99.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.3 -43.75 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.75 -35.15 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.73 -25.33 68.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.53 -24.66 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -108.12 86.38 2.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.3 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.4 t -89.57 -157.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 175.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -80.98 -109.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -170.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.97 -41.57 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -156.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -49.92 160.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -152.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -81.28 -175.29 5.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 -161.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 96.1 mt-10 -84.3 -19.59 33.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 35' ' ' GLU . 97.9 mttt 66.21 60.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -171.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -66.98 170.98 5.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.0 m -60.39 164.62 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -173.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -87.14 154.43 20.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.15 173.78 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -161.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.1 mm? -76.54 74.72 3.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.2 p -84.76 155.41 61.75 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 111.128 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -62.75 -27.9 75.91 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.787 2.325 . . . . 0.0 112.367 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -69.96 -46.2 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -74.03 -30.89 62.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' ' 70' ' ' PHE . 6.1 mp -79.44 -35.81 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -70.26 -47.91 59.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.717 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.3 pp -60.69 -28.78 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.472 ' N ' HD12 ' A' ' 48' ' ' LEU . 79.4 t80 -65.34 -59.49 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 177.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -65.19 -29.12 69.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -63.46 -52.65 60.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.954 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.56 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 tpp -67.44 -30.73 70.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.86 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.97 35.95 11.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.526 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.38 115.32 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.97 0.414 . . . . 0.0 111.063 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.467 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 48.5 p -90.44 158.44 43.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.548 0.69 . . . . 0.0 111.126 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.1 Cg_endo -62.8 -18.28 63.64 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.74 -44.94 76.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -115.68 19.93 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -62.2 -43.46 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -62.71 -35.46 79.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -68.04 -43.08 79.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -71.6 -29.25 64.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.4 p -73.91 -21.93 59.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -70.39 -40.63 73.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.75 ' HB ' HD11 ' A' ' 72' ' ' LEU . 76.9 p -105.25 9.63 33.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -166.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.5 t30 54.58 56.77 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.4 t30 63.3 36.62 11.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.405 ' C ' HD12 ' A' ' 72' ' ' LEU . 98.8 m-85 53.17 47.48 24.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -177.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 16.1 tppt? -95.37 73.16 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.75 HD11 ' HB ' ' A' ' 67' ' ' THR . 3.5 mp -126.93 144.45 51.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -131.42 155.32 47.52 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -175.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 t -168.56 156.05 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -176.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -150.23 96.97 2.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 163.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.15 25.98 70.04 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.402 -174.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 94.8 mt-10 -139.46 -176.72 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.444 ' HD1' ' HB3' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -58.51 151.27 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 170.088 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' TRP . 52.9 t -104.66 120.3 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 175.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -131.67 153.68 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -172.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.5 t -77.63 124.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.664 ' HB2' HD11 ' A' ' 73' ' ' LEU . 88.5 tt0 -57.5 127.51 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.42 -16.47 61.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.48 170.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -102.02 24.48 9.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.08 -26.85 63.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 165.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -65.95 -16.48 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -106.43 10.58 31.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.783 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -120.71 147.3 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -174.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.74 5.72 77.6 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -169.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -92.95 165.51 12.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.683 0.278 . . . . 0.0 110.868 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 11.4 pm0 -80.1 57.78 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.48 142.84 25.4 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.8 176.25 3.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.635 2.223 . . . . 0.0 112.377 171.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.5 -23.61 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.41 -45.47 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -80.5 -21.86 41.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.68 135.23 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -106.33 28.15 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 172.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.34 143.78 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' VAL . 19.8 m-90 -142.14 169.07 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -93.3 153.68 18.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -56.77 -33.98 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.92 163.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.65 -38.78 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.28 -45.03 93.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.2 mt -57.67 -44.36 85.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.068 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -67.19 -33.46 75.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -61.49 -48.92 78.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -74.7 -29.99 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.24 -45.38 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.7 -35.79 75.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 173.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.481 ' HA ' ' HB2' ' A' ' 114' ' ' LEU . 96.2 mt-10 -73.0 -26.38 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 176.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.69 -36.6 84.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.67 41.12 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 111' ' ' GLU . 50.9 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.3 m -123.36 15.79 9.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.777 147.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 6.3 tp10 176.54 171.27 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' HG3' ' HA2' ' A' ' 83' ' ' GLY . 63.7 mm-40 -59.51 172.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.811 154.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -88.86 40.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.928 -164.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.97 -68.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 165.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -139.78 140.76 36.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 170.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.13 6.84 46.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -100.37 108.86 20.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 176.361 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -148.49 178.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -97.35 134.33 40.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 165.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -84.08 176.48 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -160.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.527 HD12 HD21 ' A' ' 46' ' ' LEU . 2.9 mm? -73.27 76.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 176.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.2 p -86.05 149.77 51.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.079 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.76 -27.73 81.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -70.45 -53.13 17.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.11 -34.31 76.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 HD12 ' A' ' 41' ' ' LEU . 87.4 mt -80.88 -41.23 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -173.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.23 -42.84 71.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.2 pp -65.35 -27.25 68.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -67.8 -57.93 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.94 -27.24 68.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.885 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.19 -53.71 40.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.26 -37.17 80.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.6 tpp -70.1 -28.97 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.785 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.09 35.46 21.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.565 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.1 mt -75.56 117.42 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.472 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 47.4 p -93.66 158.91 35.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.637 0.732 . . . . 0.0 111.152 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -62.46 -13.64 34.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -80.64 -34.32 35.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -118.46 18.72 13.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.79 -48.45 74.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -63.01 -27.7 69.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.43 -40.85 73.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -73.99 -22.91 59.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.55 95.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 172.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.8 p -73.67 -25.37 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -69.1 -42.79 75.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.1 p -106.22 15.02 26.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 -168.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.6 t30 54.75 60.28 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.6 t30 65.17 34.55 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 50.45 43.44 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.32 66.59 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 171.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 75.8 mt -87.64 129.4 35.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.2 mt -123.33 155.87 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 174.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -159.48 150.29 19.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -146.75 89.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.814 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.54 21.35 62.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.409 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -140.79 -177.43 5.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.621 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.48 143.42 53.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 169.363 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 96.6 t -76.55 129.43 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.051 -175.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -121.27 156.72 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 83.9 t -83.44 124.99 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -43.08 134.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.437 ' HA2' ' HG3' ' A' ' 32' ' ' GLU . . . 101.84 -12.97 57.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.13 40.12 2.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.2 pm0 -59.93 -18.8 47.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 174.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.64 -34.72 78.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -85.39 -13.14 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -170.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 88.0 mt -59.4 121.77 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -4.3 67.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.494 -177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.34 109.89 19.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.815 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -98.49 107.01 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.97 156.53 37.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.62 63.66 7.34 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 74.4 mt 57.7 28.65 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.82 -58.27 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.828 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -124.27 26.37 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.49 118.68 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.031 -177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -134.98 37.2 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -164.56 150.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -174.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -138.75 139.92 38.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.47 ' HA ' ' CB ' ' A' ' 78' ' ' TRP . 94.4 p -76.65 150.84 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -171.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -60.54 -30.44 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.56 -39.08 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.81 -45.23 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 98.1 mt -59.64 -43.89 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -65.09 -37.35 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.77 -40.83 96.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.0 mmt180 -72.8 -34.67 67.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.38 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -67.63 -34.24 76.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.86 -30.52 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.66 -35.47 70.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.6 -36.28 80.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 178.727 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 m -54.33 -32.1 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.39 132.68 45.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.97 -170.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -130.49 85.09 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -151.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -92.33 87.87 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -142.78 -105.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -128.29 145.82 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 87.1 tttt -96.24 40.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -79.07 119.73 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -177.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.48 178.43 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -95.77 160.89 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' C ' HD12 ' A' ' 41' ' ' LEU . 24.6 pt-20 -81.56 173.36 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 -164.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.568 HD11 HD23 ' A' ' 73' ' ' LEU . 9.2 mp -108.63 104.56 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 175.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 69.2 p -91.87 157.92 40.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 177.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 37.4 Cg_endo -61.75 -28.99 82.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 174.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -70.42 -42.49 71.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 174.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -66.53 -38.35 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.09 -38.78 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.16 -46.74 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 48' ' ' LEU . 2.1 pp -65.65 -24.16 66.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.406 ' N ' HD12 ' A' ' 48' ' ' LEU . 91.3 t80 -63.67 -57.58 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -67.5 -30.6 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.03 -49.18 71.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.82 73.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.4 tpp -65.54 -27.44 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.26 31.12 39.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 98.2 mt -72.33 120.96 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.996 0.427 . . . . 0.0 111.096 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.498 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.2 p -99.7 159.39 30.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 111.2 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 31.2 Cg_endo -60.83 -17.42 50.4 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -69.34 -48.22 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -111.15 22.97 14.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.96 -45.23 74.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -67.96 -27.53 66.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.43 -47.62 59.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.956 175.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -64.94 -33.09 75.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.7 -46.03 90.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.5 p -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -75.91 -37.16 59.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -101.56 17.12 23.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -168.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 51.16 60.15 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 52.4 t30 65.06 35.44 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.26 29.37 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -92.95 104.52 16.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 3.5 mp -131.49 145.05 51.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 41' ' ' LEU . 41.2 mt -120.07 156.22 31.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 79' ' ' VAL . 10.6 t -167.77 154.26 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 175.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.59 97.78 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 169.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.2 23.42 64.14 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.522 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.04 -177.06 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -172.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.454 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -61.1 150.62 33.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 168.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 89.7 t -85.01 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.6 p90 -127.56 158.52 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.77 131.5 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.186 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.25 128.48 31.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.37 -18.15 58.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.427 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -112.57 17.09 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -58.81 -15.5 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 167.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -35.5 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.946 168.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -74.95 -13.86 60.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.6 mt -56.21 125.3 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.198 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.06 12.1 66.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.503 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.43 110.39 16.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.703 0.287 . . . . 0.0 110.904 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.31 103.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.3 mt -122.69 154.38 63.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.678 0.751 . . . . 0.0 110.917 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.96 166.39 22.95 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.562 2.175 . . . . 0.0 112.373 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.78 -25.32 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -72.37 -42.01 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.96 16.63 25.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.43 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -133.54 35.09 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.76 141.65 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.8 m-90 -142.88 146.95 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.872 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.8 t -79.05 147.77 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -174.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.27 -30.26 66.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 167.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -70.5 -33.37 71.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 174.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.87 -46.58 77.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 172.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.85 -41.61 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.04 -44.75 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 111' ' ' GLU . 98.0 m-20 -62.66 -36.04 81.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.819 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -67.91 -37.82 82.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 112' ' ' LEU . 96.1 mt -68.4 -33.12 73.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.02 -30.07 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 76.2 mm-40 -70.46 -29.23 65.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 175.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 109' ' ' LEU . 94.9 mt -73.77 -27.62 61.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.31 137.56 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.259 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.565 ' O ' ' CB ' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 29' ' ' GLY . 30.8 t 140.89 -76.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.803 135.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -176.05 94.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -139.2 116.69 11.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -167.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -122.83 -27.7 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 171.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -176.53 123.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 169.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -140.32 110.69 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 160.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -99.91 35.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 22.5 ptmt -147.34 52.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -176.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -147.3 168.84 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 168.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.3 mmm-85 -98.63 152.53 19.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' HG3' HG23 ' A' ' 42' ' ' THR . 25.1 pt-20 -71.96 173.52 8.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -166.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -109.08 81.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.434 HG23 ' HG3' ' A' ' 40' ' ' GLU . 63.5 p -82.68 151.52 64.9 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.503 0.668 . . . . 0.0 111.14 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.11 -27.81 84.73 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -70.12 -42.47 72.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 175.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -70.76 -30.0 66.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -77.17 -34.9 56.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -70.03 -46.2 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.2 pp -63.72 -26.22 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -177.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.51 -58.64 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -65.49 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -64.51 -47.46 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.26 94.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 mmt -70.18 -21.65 63.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.69 31.7 55.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.08 127.99 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.936 0.398 . . . . 0.0 111.078 -171.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.3 p -103.27 158.35 31.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.598 0.713 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 35.0 Cg_endo -60.9 -14.27 31.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.408 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -79.25 -37.07 38.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -119.09 19.88 12.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -66.22 -46.62 76.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -63.85 -29.37 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.81 -47.41 75.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.808 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -66.64 -39.23 88.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.04 -31.32 71.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.1 p -79.1 -27.6 42.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -88.98 -30.76 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.454 ' HA ' HG21 ' A' ' 81' ' ' VAL . 72.0 p -90.32 -0.45 57.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.1 t30 57.74 59.64 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.816 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.2 t30 63.77 34.04 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 51.4 44.61 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 12.8 tptm -72.24 70.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 170.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB3' ' CG1' ' A' ' 79' ' ' VAL . 56.0 mt -97.22 137.47 36.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.983 -173.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -133.12 155.87 48.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 175.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.477 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 13.3 t -160.53 152.75 20.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -146.72 85.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.777 172.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 21.73 64.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.42 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -142.18 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -175.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 8.5 m0 -68.27 149.81 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 173.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 98.0 t -87.33 123.94 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 159.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.477 ' CZ3' ' HA ' ' A' ' 74' ' ' THR . 25.1 p90 -132.46 158.22 42.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -174.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG21 ' HA ' ' A' ' 67' ' ' THR . 87.6 t -82.97 127.35 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 172.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.723 ' HB2' HD11 ' A' ' 73' ' ' LEU . 85.1 tt0 -42.34 127.26 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.14 46.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.486 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -116.45 37.6 3.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 12.5 mp0 -61.08 -20.89 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 171.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -72.98 -4.01 29.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -107.79 12.52 27.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.925 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.41 HD11 ' CD2' ' A' ' 80' ' ' TRP . 87.7 mt -89.33 120.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.226 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.83 -14.93 64.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.98 172.31 10.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -117.42 105.65 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 96.9 mt -115.46 93.23 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.527 0.68 . . . . 0.0 110.929 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 57.9 Cg_endo -65.66 -19.49 59.81 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.65 2.233 . . . . 0.0 112.29 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.56 169.43 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -73.4 -4.86 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.31 -15.81 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.967 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.89 133.4 42.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.166 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -131.66 33.69 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.2 140.15 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -141.39 151.69 43.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 78' ' ' TRP . 86.1 p -78.04 152.4 33.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -58.55 -33.7 70.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 170.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -66.69 -38.27 86.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -64.47 -45.75 86.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.02 -42.5 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -61.17 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -72.13 -37.74 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -71.61 -33.62 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.7 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.01 -20.95 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.5 HD12 ' C ' ' A' ' 112' ' ' LEU . 4.3 pp -125.35 20.27 8.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -175.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -110.08 80.8 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.192 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 29' ' ' GLY . 5.4 m 88.78 19.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 168.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -176.33 166.97 2.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -160.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' OE1' ' NZ ' ' A' ' 36' ' ' LYS . 93.5 mt-10 -126.05 0.67 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 168.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' GLU . 58.8 mtpt 40.66 56.91 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 168.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -160.62 153.12 20.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 95.8 mt-10 -95.77 9.73 39.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 169.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' NZ ' ' OE1' ' A' ' 32' ' ' GLU . 75.6 mmtt 71.02 10.6 6.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.838 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -150.98 -31.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.919 167.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 73' ' ' LEU . 7.3 m -151.33 174.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -171.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.2 mmm-85 -93.22 142.87 26.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -75.41 179.45 5.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -163.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.63 HD22 ' HE2' ' A' ' 71' ' ' LYS . 5.4 mp -110.45 82.93 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 70.7 p -74.18 157.41 86.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 45.8 Cg_endo -62.91 -22.41 73.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 173.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -78.78 -43.48 25.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 176.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.16 -37.01 77.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 HD23 ' A' ' 41' ' ' LEU . 82.2 mt -71.07 -40.73 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.88 -41.11 68.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.622 HD12 ' C ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -67.15 -23.69 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -69.07 -58.75 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -65.34 -26.42 68.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.95 -47.69 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.819 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.18 90.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 mmt -82.28 -13.37 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.3 38.36 91.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.498 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.4 124.99 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 111.095 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 44.1 p -100.68 158.08 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.176 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 30.4 Cg_endo -60.16 -19.34 56.37 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.627 2.218 . . . . 0.0 112.327 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -69.33 -46.98 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -111.41 20.73 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -64.61 -51.25 63.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.852 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -64.51 -27.46 68.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.02 -43.16 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -68.78 -37.87 79.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 174.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.39 68.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.123 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -67.06 -47.31 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -80.31 -25.98 39.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.991 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.5 p -91.41 4.84 51.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.4 t30 53.63 58.22 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.4 t30 65.12 35.17 8.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 50.22 39.69 20.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.63 ' HE2' HD22 ' A' ' 41' ' ' LEU . 3.1 mmpt? -89.25 71.66 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 172.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.533 ' N ' HD21 ' A' ' 41' ' ' LEU . 70.0 mt -88.9 135.89 33.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD22 HG21 ' A' ' 38' ' ' VAL . 65.1 mt -119.7 151.54 38.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 175.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -155.99 145.28 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -152.94 84.81 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 17.93 60.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -139.76 -178.95 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -176.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.586 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -60.49 143.52 53.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 172.366 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' TRP . 88.8 t -69.14 133.51 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.238 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 29.2 p90 -126.6 157.0 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.1 t -83.72 125.47 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.81 129.99 35.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.25 -12.86 55.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.7 38.06 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -62.32 -19.36 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 pm0 -72.0 -7.87 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -107.87 10.13 28.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -80.96 126.51 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.64 8.13 77.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.555 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -98.75 149.76 22.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.685 0.278 . . . . 0.0 110.889 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -100.17 91.35 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -112.83 146.34 34.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 0.0 110.88 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -57.55 149.94 63.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 175.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.9 -32.51 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -74.8 -29.86 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -111.44 13.33 21.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -175.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.97 129.28 43.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -95.19 36.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 168.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -167.62 144.72 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' VAL . 10.3 m-90 -136.44 146.28 46.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 16.6 t -70.87 145.47 50.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -61.38 -30.41 70.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.27 -36.38 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.74 -44.47 93.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.11 -45.11 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.68 -38.82 92.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.84 -39.34 91.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -67.51 -39.3 85.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.483 HD11 HD13 ' A' ' 48' ' ' LEU . 85.8 mt -67.9 -33.19 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.03 -30.63 69.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.33 -34.21 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 174.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.2 -37.14 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -118.08 88.0 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.3 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.5 p -101.1 162.53 12.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -170.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -105.56 174.38 5.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -161.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -121.71 120.81 35.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 164.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.73 146.13 30.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -157.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -134.82 -179.07 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.933 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -90.46 -52.68 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -173.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 42.51 64.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -121.29 138.25 54.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -167.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.54 -179.35 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -82.62 149.97 27.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -88.06 177.4 6.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -164.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mp -103.01 97.31 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -174.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 p -107.91 155.37 40.08 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.181 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -60.14 -29.12 88.42 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -69.99 -45.04 68.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' HA ' HD23 ' A' ' 48' ' ' LEU . 96.5 mt-10 -76.08 -29.24 57.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mp -75.27 -35.12 61.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -67.19 -53.04 34.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.629 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.5 pp -56.21 -24.83 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -69.98 -58.95 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -68.82 -30.66 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -64.42 -47.8 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.34 84.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.0 tpp -69.56 -24.75 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.82 36.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.589 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.44 125.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.086 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.493 ' HB ' ' HD2' ' A' ' 57' ' ' PRO . 43.2 p -97.28 158.78 32.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.661 0.743 . . . . 0.0 111.154 -176.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' A' ' 56' ' ' THR . 37.3 Cg_endo -61.83 -17.87 57.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.751 2.301 . . . . 0.0 112.432 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -67.76 -46.91 70.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.795 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -113.57 23.14 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -65.96 -43.11 88.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -66.4 -33.23 75.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 175.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -66.54 -41.1 89.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -74.23 -36.06 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.88 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.1 p -71.3 -30.55 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -89.75 -30.78 17.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -88.05 10.21 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.6 t30 49.45 54.68 10.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 66.49 35.79 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 51.46 35.47 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -84.58 96.9 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 172.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 mt -117.81 132.18 56.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -166.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.1 mt -114.74 153.56 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -168.08 155.54 8.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -153.71 96.3 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.46 20.52 23.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.538 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -140.46 -178.09 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.92 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.2 OUTLIER -57.85 152.31 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 172.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.28 135.25 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -128.34 159.64 34.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -87.92 127.09 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.09 127.56 29.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.13 -18.71 55.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -111.18 20.13 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.975 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.92 -21.51 63.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.876 176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.491 ' HG3' ' CD2' ' A' ' 87' ' ' HIS . 25.3 pt-20 -92.79 1.28 57.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.937 177.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.491 ' CD2' ' HG3' ' A' ' 86' ' ' GLU . 51.0 m-70 -114.53 5.58 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.9 pt -111.06 157.81 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 -177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.61 10.52 85.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.424 -172.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -104.18 166.78 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 12.2 pm0 -83.51 57.6 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.96 153.91 37.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.975 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.02 -178.3 2.0 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.776 2.318 . . . . 0.0 112.251 175.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -76.47 -19.26 58.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -78.58 -35.99 45.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -99.42 14.85 28.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.07 142.14 38.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.12 23.36 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.95 147.18 9.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -144.61 155.53 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -91.35 148.02 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -174.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -57.16 -27.64 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.85 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 174.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -81.41 -42.96 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.8 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.03 -44.81 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -69.27 -39.5 78.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -58.97 -46.95 86.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -76.0 -35.67 59.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.3 -43.43 88.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -59.13 -28.41 66.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -57.31 -30.15 64.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 112' ' ' LEU . 1.8 pt? -125.2 5.91 7.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -146.44 55.91 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 175.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.0 t -53.47 136.49 37.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.358 . . . . 0.0 110.829 -164.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -86.02 -179.72 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.94 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -104.48 -56.66 2.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -168.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -95.95 134.39 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -164.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -116.17 17.86 15.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -170.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.56 128.73 31.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 167.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -125.7 68.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 168.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.6 135.0 52.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -165.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -134.72 -177.05 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.11 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -89.93 143.47 26.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 171.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -100.57 170.4 8.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -160.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD11 ' H ' ' A' ' 72' ' ' LEU . 1.8 mm? -76.82 79.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 60.2 p -79.21 158.56 74.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 111.186 167.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 36.4 Cg_endo -61.69 -25.9 79.42 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.296 175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.52 -43.27 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -76.49 -28.93 56.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.952 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.45 -53.22 7.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.24 -37.43 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -171.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.639 HD12 ' C ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -66.47 -26.3 67.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -176.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -69.07 -57.27 5.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -64.12 -27.53 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -66.05 -46.23 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 174.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.41 67.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 61.4 tpp -67.78 -24.97 65.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -175.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.4 38.69 17.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.445 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.09 132.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.15 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -123.43 156.02 64.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.64 0.733 . . . . 0.0 111.185 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HA ' ' HB2' ' A' ' 60' ' ' TYR . 52.5 Cg_endo -66.85 -15.13 46.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.02 -48.35 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -115.15 26.26 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.482 ' HB2' ' HA ' ' A' ' 57' ' ' PRO . 92.3 t80 -63.52 -46.38 86.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.426 ' CE2' ' HG3' ' A' ' 62' ' ' GLN . 57.7 p-90 -65.55 -33.14 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' HG3' ' CE2' ' A' ' 61' ' ' TRP . 88.5 mt-30 -63.88 -48.07 78.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.031 174.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -65.3 -38.46 90.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.61 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.059 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -81.27 -32.88 33.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 -174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -89.48 -29.21 19.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.958 -175.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 p -90.34 11.98 19.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 50.4 63.35 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.867 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.3 t30 59.78 36.15 22.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 54.06 37.3 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -95.62 91.19 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.539 ' H ' HD11 ' A' ' 41' ' ' LEU . 32.1 mt -108.23 137.57 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' HB ' ' A' ' 74' ' ' THR . 70.3 mt -128.02 151.38 49.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 73' ' ' LEU . 15.1 t 179.55 166.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 167.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -145.87 105.92 4.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.78 20.88 62.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -140.28 -178.12 5.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 -175.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.5 ' O ' ' CD1' ' A' ' 78' ' ' TRP . 0.1 OUTLIER -59.87 148.4 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 169.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' TRP . 91.5 t -79.24 137.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.064 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -131.13 160.77 33.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.62 131.13 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.4 134.08 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -1.54 86.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -123.09 31.47 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -58.6 -21.69 54.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 165.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.39 -30.59 65.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -94.85 38.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 97.5 mt -106.59 128.18 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.14 26.32 58.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.434 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -93.26 169.43 10.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 178.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -101.67 35.52 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.509 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 70.5 mt -100.09 153.5 37.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 110.873 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.5 171.94 14.31 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.297 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.97 -30.11 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.03 -41.4 82.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.892 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -96.85 18.62 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.86 52.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 86.1 mtt85 -93.98 47.45 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 170.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.99 137.69 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 79' ' ' VAL . 4.3 m-90 -133.67 161.32 34.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.92 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 78' ' ' TRP . 94.0 p -91.59 152.24 20.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.4 ' HZ3' HD11 ' A' ' 48' ' ' LEU . 9.9 m95 -59.28 -32.78 70.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 171.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.37 -36.08 78.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.987 0.422 . . . . 0.0 110.924 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -64.98 -44.44 89.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.42 -39.62 83.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -65.33 -37.85 88.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.01 -37.33 86.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -70.8 -37.9 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.36 -35.81 82.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 174.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.85 -32.53 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.9 -20.67 62.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.3 mt -93.2 15.95 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.973 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -121.73 89.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -177.963 . . . . . . . . 0 0 . 1 stop_ save_